data_5h7u_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 5h7u _Structure_validation_residue.Date_analyzed 2017-05-26 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.975 0.417 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.442 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.542 0.673 0 CA-C-O 119.534 -0.269 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.304 0.573 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 120.773 0.321 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.055 0.455 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 CA--C 1.546 0.814 0 CA-C-O 120.699 0.285 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.659 0.266 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.443 0.64 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.866 0.365 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -132.84 151.09 52.09 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.764 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.0 p -163.89 176.37 9.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.374 1.47 . . . . 0.0 111.981 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.66 157.21 45.36 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.245 1.818 . . . . 0.0 111.638 -173.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -141.7 164.01 31.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.925 1.69 . . . . 0.0 111.571 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -154.67 143.44 20.81 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.287 1.835 . . . . 0.0 110.213 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -116.53 -2.25 12.03 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.684 1.594 . . . . 0.0 112.506 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -81.7 72.3 8.74 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.31 1.052 . . . . 0.0 110.513 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.3 p -157.68 160.54 38.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.046 1.339 . . . . 0.0 113.096 -173.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.8 159.56 27.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.64 1.976 . . . . 0.0 110.664 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -151.52 -7.36 0.24 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 t -165.91 133.2 2.79 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.965 1.257 . . . . 0.0 112.75 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -160.5 162.23 32.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.097 1.759 . . . . 0.0 111.058 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.9 149.43 40.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.74 1.216 . . . . 0.0 113.111 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -155.58 125.65 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.668 1.587 . . . . 0.0 110.361 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.21 159.15 21.07 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.899 1.279 . . . . 0.0 112.47 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.4 m -128.03 13.06 6.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.702 1.601 . . . . 0.0 112.023 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.01 161.41 25.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.231 2.212 . . . . 0.0 110.607 -170.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -157.08 -95.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.986 0.914 . . . . 0.0 111.836 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -80.57 123.4 28.09 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.86 1.264 . . . . 0.0 110.457 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -166.91 170.93 11.72 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.339 1.455 . . . . 0.0 111.903 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -159.73 163.11 34.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.669 1.588 . . . . 0.0 111.257 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.16 163.7 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 111.416 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -160.68 168.74 24.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.511 1.524 . . . . 0.0 112.602 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.05 154.43 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.859 2.064 . . . . 0.0 109.882 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.8 151.63 24.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.769 1.228 . . . . 0.0 112.053 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -161.07 155.7 23.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.863 1.665 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -160.0 149.75 18.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.648 1.579 . . . . 0.0 111.464 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -157.71 136.63 11.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.467 1.507 . . . . 0.0 111.489 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -153.05 163.36 40.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.28 1.832 . . . . 0.0 111.047 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.89 118.33 8.49 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.76 1.224 . . . . 0.0 111.434 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.52 158.81 8.06 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.379 2.272 . . . . 0.0 110.301 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.95 144.26 98.75 Favored Pre-proline 0 CA--C 1.553 1.08 0 O-C-N 121.486 -0.759 . . . . 0.0 112.537 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.77 -26.74 4.41 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.04 2.493 . . . . 0.0 112.716 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -173.65 173.07 3.45 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.836 2.054 . . . . 0.0 111.816 -174.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.78 127.05 5.43 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.494 1.521 . . . . 0.0 113.47 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -64.15 153.58 75.55 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.775 2.983 . . . . 0.0 112.539 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -161.67 161.56 29.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.445 1.498 . . . . 0.0 112.067 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.55 137.63 53.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.358 1.463 . . . . 0.0 110.934 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -79.6 -13.38 59.56 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.81 129.83 34.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.575 1.15 . . . . 0.0 112.127 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -88.86 156.33 19.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.467 1.107 . . . . 0.0 110.994 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -161.9 -178.65 6.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.914 1.285 . . . . 0.0 111.576 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.83 141.54 15.64 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.489 1.916 . . . . 0.0 109.517 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 140.78 46.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.796 1.238 . . . . 0.0 111.285 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -163.05 146.62 10.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.589 1.556 . . . . 0.0 111.059 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -145.38 174.01 11.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.29 1.836 . . . . 0.0 111.81 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.93 159.75 30.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.411 1.484 . . . . 0.0 110.893 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.23 46.0 3.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.188 1.375 . . . . 0.0 113.421 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.79 86.51 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.596 1.57 . . . . 0.0 114.747 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.65 78.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-N 118.539 1.169 . . . . 0.0 114.767 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -160.89 178.71 9.13 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.452 1.501 . . . . 0.0 111.417 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -154.78 139.65 17.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.461 1.505 . . . . 0.0 111.826 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -99.57 170.77 8.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.335 1.454 . . . . 0.0 113.176 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.54 159.13 42.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.51 1.524 . . . . 0.0 111.394 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -87.5 3.52 47.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.76 1.224 . . . . 0.0 113.984 -173.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.57 147.41 45.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.722 1.209 . . . . 0.0 112.417 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.2 p -152.6 172.03 17.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.202 1.401 . . . . 0.0 112.176 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -73.93 154.6 39.31 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.061 -1.025 . . . . 0.0 113.188 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.18 148.73 51.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.863 1.265 . . . . 0.0 113.242 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -157.21 172.05 19.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.007 1.723 . . . . 0.0 112.138 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.21 96.3 0.63 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.69 1.196 . . . . 0.0 112.168 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 t -172.24 -44.13 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.52 1.928 . . . . 0.0 111.39 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t 69.65 -173.94 0.18 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.328 1.851 . . . . 0.0 113.748 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -162.88 -44.0 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.005 1.722 . . . . 0.0 112.88 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.79 149.82 9.61 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 110.513 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -112.28 -22.3 10.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.561 1.944 . . . . 0.0 112.369 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -156.55 134.67 11.23 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.646 -1.284 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.29 19.89 0.49 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.898 1.279 . . . . 0.0 113.047 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.79 169.34 18.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.512 1.525 . . . . 0.0 112.211 -172.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -60.96 146.78 45.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.712 1.605 . . . . 0.0 112.011 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.18 -5.4 39.03 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -77.43 49.49 0.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -83.06 -11.25 58.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.878 1.671 . . . . 0.0 113.948 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.43 -8.36 66.6 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 126.079 1.8 . . . . 0.0 114.185 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 128.218 2.607 . . . . 0.0 114.578 172.804 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.444 0.164 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -167.26 157.89 11.44 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.136 1.774 . . . . 0.0 110.84 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -164.5 174.37 11.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.77 134.05 26.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.202 1.801 . . . . 0.0 110.128 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.1 tp -163.55 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.506 1.522 . . . . 0.0 112.312 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.43 137.61 57.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.009 1.324 . . . . 0.0 112.252 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.23 153.43 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.945 1.298 . . . . 0.0 111.238 -169.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -84.21 50.47 1.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.017 1.327 . . . . 0.0 111.737 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.6 m -142.17 151.29 42.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.588 1.555 . . . . 0.0 112.008 -173.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.3 163.13 37.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.779 1.632 . . . . 0.0 112.086 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -151.41 31.18 0.59 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.395 1.478 . . . . 0.0 111.662 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -64.49 137.01 57.63 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.066 1.346 . . . . 0.0 113.24 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -159.59 148.65 17.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.593 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -162.47 155.85 20.36 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.514 1.926 . . . . 0.0 110.755 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -162.28 142.75 10.09 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.906 1.283 . . . . 0.0 112.277 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -165.74 123.83 1.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.957 1.703 . . . . 0.0 109.433 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -168.98 169.54 9.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.545 1.538 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -122.82 0.19 9.18 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.937 1.695 . . . . 0.0 112.291 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.9 p -83.27 -11.76 57.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.492 -1.38 . . . . 0.0 113.898 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.95 46.56 1.12 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.76 1.624 . . . . 0.0 111.454 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -162.6 -178.79 6.44 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.96 1.704 . . . . 0.0 111.726 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.57 159.17 32.96 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.306 1.842 . . . . 0.0 111.405 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.17 170.26 22.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.42 1.488 . . . . 0.0 112.208 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.45 163.13 37.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.347 1.859 . . . . 0.0 111.686 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.47 143.2 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.506 1.522 . . . . 0.0 110.656 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.9 t70 74.43 129.65 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.512 2.725 . . . . 0.0 113.635 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 m -166.85 157.7 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.925 2.09 . . . . 0.0 110.883 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -157.9 141.27 15.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.639 1.575 . . . . 0.0 111.087 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -118.1 -5.85 10.93 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.961 1.704 . . . . 0.0 112.797 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -85.06 46.73 1.31 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.165 1.386 . . . . 0.0 111.664 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.19 8.83 2.37 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.742 2.017 . . . . 0.0 114.683 -170.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.96 39.46 0.3 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.618 1.967 . . . . 0.0 113.051 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -55.5 -35.03 29.54 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -171.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.52 -21.0 66.23 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 123.797 2.998 . . . . 0.0 115.099 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -94.85 50.79 1.32 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.783 1.233 . . . . 0.0 112.675 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.24 -175.39 33.14 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.489 1.519 . . . . 0.0 113.71 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.18 153.41 67.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.864 3.043 . . . . 0.0 112.122 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.46 3.21 2.79 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.364 1.466 . . . . 0.0 112.947 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -129.35 130.83 46.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.191 1.796 . . . . 0.0 110.144 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -144.85 131.23 19.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 110.572 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -65.88 138.99 58.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -166.6 140.27 3.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.569 1.948 . . . . 0.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -170.67 -179.57 2.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.586 1.554 . . . . 0.0 110.928 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -140.68 133.95 29.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.954 1.701 . . . . 0.0 109.573 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -110.06 46.21 1.04 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.291 1.436 . . . . 0.0 111.013 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -157.3 156.5 32.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.304 1.842 . . . . 0.0 111.999 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -160.96 170.98 19.51 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.115 1.766 . . . . 0.0 112.143 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.69 151.54 47.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.764 0.826 . . . . 0.0 111.898 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.84 -152.52 21.34 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.13 1.347 . . . . 0.0 112.818 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.51 -171.32 49.5 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 113.335 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.01 -137.47 22.2 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.124 0.868 . . . . 0.0 112.091 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -160.74 149.8 16.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.925 1.29 . . . . 0.0 111.639 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -100.62 125.63 47.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.322 1.049 . . . . 0.0 110.87 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.67 137.34 52.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.012 1.325 . . . . 0.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -165.05 147.41 8.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.095 1.758 . . . . 0.0 110.577 -173.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.8 mt 64.38 6.23 2.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.757 2.023 . . . . 0.0 114.421 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -68.31 131.06 44.68 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.695 1.198 . . . . 0.0 111.434 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -163.83 -172.18 2.75 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.288 1.435 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 t -157.42 158.49 35.94 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -156.96 151.99 26.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.699 1.2 . . . . 0.0 112.466 -171.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -157.45 161.6 38.91 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.66 1.984 . . . . 0.0 111.039 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -146.53 137.98 24.48 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.912 1.285 . . . . 0.0 111.925 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -166.85 172.84 9.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.558 1.943 . . . . 0.0 110.928 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -159.72 159.78 33.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.495 1.518 . . . . 0.0 111.224 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.16 61.09 3.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.416 1.486 . . . . 0.0 111.866 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -70.96 159.34 34.9 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.075 1.75 . . . . 0.0 112.609 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.84 143.83 24.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.458 1.503 . . . . 0.0 110.401 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 m -119.5 157.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.217 1.407 . . . . 0.0 112.242 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.77 171.68 14.32 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.621 1.168 . . . . 0.0 111.842 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.82 5.82 0.51 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.997 1.719 . . . . 0.0 114.02 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -117.96 132.59 56.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 110.878 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.18 136.81 52.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.316 1.446 . . . . 0.0 111.75 -176.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.442 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -74.41 31.71 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.93 -19.31 60.73 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.776 1.63 . . . . 0.0 114.627 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.55 13.53 83.1 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.578 1.085 . . . . 0.0 114.83 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.356 1.862 . . . . 0.0 111.876 -175.192 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.416 0.15 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -161.76 141.78 10.32 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.017 1.727 . . . . 0.0 110.072 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.34 169.06 23.91 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.429 1.492 . . . . 0.0 111.123 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.64 161.58 35.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.129 1.772 . . . . 0.0 111.978 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.22 139.73 16.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.91 1.684 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -159.31 144.59 15.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.326 1.45 . . . . 0.0 111.403 -175.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -156.26 1.37 0.14 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.39 138.66 3.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.088 1.355 . . . . 0.0 111.38 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -155.83 23.2 0.39 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -153.45 147.99 26.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.506 1.523 . . . . 0.0 111.804 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -159.34 157.87 31.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.385 1.874 . . . . 0.0 110.988 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -149.7 162.56 40.0 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 0.0 112.824 -172.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -145.56 156.08 43.46 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.25 1.82 . . . . 0.0 110.41 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -135.93 17.44 3.26 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -168.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -156.27 171.44 20.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.695 1.598 . . . . 0.0 112.169 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -146.34 73.78 1.34 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.339 1.456 . . . . 0.0 108.243 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 p -165.09 143.34 6.32 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.111 1.365 . . . . 0.0 111.733 -169.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.5 -16.86 40.91 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 113.619 -173.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -170.05 -175.57 2.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.569 1.948 . . . . 0.0 110.756 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.17 130.04 30.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.163 1.785 . . . . 0.0 109.761 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -166.91 -173.34 2.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.648 1.579 . . . . 0.0 111.109 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.02 145.94 23.53 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.127 1.771 . . . . 0.0 110.288 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.14 23.54 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.959 1.303 . . . . 0.0 113.117 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -159.53 154.06 24.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.224 1.81 . . . . 0.0 110.737 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.8 m -155.52 151.22 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.829 2.052 . . . . 0.0 110.866 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -160.45 137.42 9.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.629 1.572 . . . . 0.0 110.892 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -165.7 155.39 12.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.291 1.436 . . . . 0.0 111.209 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.76 147.58 11.85 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.411 1.884 . . . . 0.0 111.053 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -158.73 137.88 11.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.613 1.565 . . . . 0.0 111.318 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -166.04 173.92 9.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.773 1.629 . . . . 0.0 111.048 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.88 112.12 11.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.746 1.218 . . . . 0.0 111.642 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.67 162.86 19.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.41 1.884 . . . . 0.0 111.241 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -139.08 146.24 48.58 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.206 1.403 . . . . 0.0 111.743 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.71 -19.46 12.74 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.474 2.783 . . . . 0.0 113.392 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.03 159.95 43.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.535 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.71 177.37 40.94 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.823 1.677 . . . . 0.0 112.785 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.8 140.05 91.37 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 124.33 3.353 . . . . 0.0 112.534 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.71 -19.62 58.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 112.882 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -165.08 158.02 16.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.116 2.167 . . . . 0.0 111.569 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -166.84 172.94 9.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.369 1.868 . . . . 0.0 110.959 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -149.83 154.33 38.23 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.045 1.338 . . . . 0.0 112.37 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -126.78 7.65 6.8 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.965 1.306 . . . . 0.0 113.684 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -80.34 -179.13 6.96 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.363 1.465 . . . . 0.0 112.608 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -143.11 140.79 31.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.236 1.414 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -159.15 154.62 25.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.098 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -165.23 152.83 11.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 112.27 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.85 171.79 9.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.387 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -156.7 -58.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.741 1.216 . . . . 0.0 111.09 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.82 -164.12 44.5 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.023 0.82 . . . . 0.0 112.399 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 155.07 42.27 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.384 0.992 . . . . 0.0 113.25 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.28 79.41 1.88 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.754 1.168 . . . . 0.0 112.127 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.0 p -161.47 170.07 20.65 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.239 1.416 . . . . 0.0 112.357 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.95 125.71 9.02 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 110.236 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.74 157.28 18.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.337 1.055 . . . . 0.0 112.509 -171.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 65.57 -178.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.463 2.305 . . . . 0.0 113.072 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -149.66 85.58 1.44 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.106 1.362 . . . . 0.0 109.576 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.61 154.75 12.05 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.469 1.908 . . . . 0.0 111.562 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -165.87 -174.97 3.22 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.382 1.473 . . . . 0.0 111.256 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 t -157.45 148.77 21.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.016 1.726 . . . . 0.0 110.547 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -85.38 141.79 29.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.314 1.046 . . . . 0.0 113.126 -174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.07 142.29 26.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.05 1.74 . . . . 0.0 110.838 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.06 -25.6 62.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.6 m 64.09 15.67 9.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.906 1.682 . . . . 0.0 114.141 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -159.52 -162.3 1.02 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.958 1.703 . . . . 0.0 111.277 -172.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -151.88 134.36 15.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.226 1.81 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.75 152.82 12.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.078 1.751 . . . . 0.0 109.978 -174.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -155.31 131.56 10.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.664 1.186 . . . . 0.0 111.399 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -160.2 162.58 33.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.618 1.567 . . . . 0.0 111.698 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.51 119.78 3.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.855 1.262 . . . . 0.0 111.238 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -153.1 176.79 11.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.453 2.301 . . . . 0.0 109.228 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.46 138.37 58.06 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.432 -0.793 . . . . 0.0 111.539 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 32.13 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.174 1.79 . . . . 0.0 112.734 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.31 -9.57 12.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -77.39 -22.49 51.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.651 1.581 . . . . 0.0 113.409 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 85.11 -49.32 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.969 2.223 . . . . 0.0 112.903 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.925 2.09 . . . . 0.0 112.244 -176.152 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.72 146.26 50.63 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.201 1.4 . . . . 0.0 110.593 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -166.5 155.58 11.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.585 1.954 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.38 145.62 32.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.711 1.604 . . . . 0.0 110.262 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -142.6 142.04 32.07 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.18 -15.66 49.66 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.235 1.014 . . . . 0.0 113.128 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -161.19 142.56 11.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.227 1.811 . . . . 0.0 109.309 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.34 12.1 7.3 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.514 1.126 . . . . 0.0 113.521 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -163.85 171.13 15.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.315 1.846 . . . . 0.0 111.069 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -152.67 24.42 0.59 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.423 1.889 . . . . 0.0 111.867 -175.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -154.1 151.05 28.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.967 1.707 . . . . 0.0 111.552 -173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -161.84 160.84 28.64 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.245 1.418 . . . . 0.0 111.616 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -157.26 151.06 24.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.604 1.562 . . . . 0.0 111.599 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -158.23 150.58 22.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.989 1.716 . . . . 0.0 111.115 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -157.14 142.45 17.27 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.485 1.514 . . . . 0.0 111.687 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -165.11 147.84 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.868 1.667 . . . . 0.0 109.891 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -65.64 153.07 42.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.538 1.135 . . . . 0.0 113.441 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.55 152.77 27.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.124 1.37 . . . . 0.0 111.68 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m -108.18 3.81 24.13 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.415 1.086 . . . . 0.0 113.527 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.38 -4.59 23.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.686 1.194 . . . . 0.0 113.562 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 p -73.3 -9.92 59.21 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.275 1.43 . . . . 0.0 113.418 169.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 82.75 147.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.828 2.851 . . . . 0.0 113.319 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.0 161.57 42.48 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.483 1.913 . . . . 0.0 111.066 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -157.91 165.27 35.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.326 1.45 . . . . 0.0 111.76 -172.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 143.36 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.608 1.963 . . . . 0.0 110.044 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.12 150.95 24.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.264 1.426 . . . . 0.0 111.612 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.1 p -162.72 159.42 24.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.437 1.495 . . . . 0.0 112.221 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -156.32 130.94 8.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 0.0 110.912 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -77.54 -13.97 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.815 1.246 . . . . 0.0 113.084 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 m 73.83 167.04 0.3 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.995 2.518 . . . . 0.0 114.506 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -156.37 129.22 7.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.544 1.537 . . . . 0.0 110.907 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.3 160.9 13.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.278 1.831 . . . . 0.0 111.161 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.63 148.13 98.61 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 123.372 0.669 . . . . 0.0 112.094 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.98 -23.03 22.3 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.287 2.658 . . . . 0.0 112.792 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -166.83 161.83 15.59 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.047 2.139 . . . . 0.0 110.843 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.37 116.07 4.14 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.367 -1.796 . . . . 0.0 110.642 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -66.31 143.45 70.47 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.085 2.523 . . . . 0.0 113.222 -175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -161.9 166.71 25.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.632 1.973 . . . . 0.0 111.526 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -64.82 147.24 53.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.067 0.947 . . . . 0.0 113.213 -174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.07 -10.92 59.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.7 mttp 63.26 42.34 7.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.406 1.483 . . . . 0.0 112.679 170.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 162.8 8.45 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.723 1.609 . . . . 0.0 113.846 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 m -140.22 154.65 46.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.498 1.519 . . . . 0.0 111.562 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 175.62 6.35 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.012 1.725 . . . . 0.0 112.697 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -132.37 152.17 51.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.704 1.602 . . . . 0.0 111.338 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -63.6 148.11 49.74 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.355 1.062 . . . . 0.0 112.751 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -161.12 168.28 24.61 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.677 1.591 . . . . 0.0 112.727 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -160.04 165.95 30.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.975 1.71 . . . . 0.0 110.577 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.15 45.25 2.76 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.262 1.41 . . . . 0.0 113.708 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -178.09 52.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.518 1.532 . . . . 0.0 113.388 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.19 162.28 40.23 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.691 1.138 . . . . 0.0 113.131 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.9 p -165.25 167.77 17.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.461 1.504 . . . . 0.0 111.758 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -160.77 158.93 29.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.289 1.436 . . . . 0.0 112.252 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -145.24 143.49 30.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.064 1.746 . . . . 0.0 110.835 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -147.64 153.53 39.48 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 0.0 111.496 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 tt -158.7 93.83 1.21 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.821 1.648 . . . . 0.0 108.272 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.17 130.97 39.05 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.269 1.028 . . . . 0.0 111.978 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -69.23 149.92 48.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.239 1.016 . . . . 0.0 112.777 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.1 p -78.37 155.16 30.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.234 1.013 . . . . 0.0 112.887 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -77.84 160.81 28.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.029 0.932 . . . . 0.0 113.064 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -159.76 151.22 19.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.424 1.49 . . . . 0.0 112.308 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -155.36 143.08 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.446 1.899 . . . . 0.0 109.896 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 m -66.61 140.94 57.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.388 1.075 . . . . 0.0 113.674 -171.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 m -78.64 -4.26 48.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.34 133.29 50.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.98 1.712 . . . . 0.0 112.754 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.06 7.58 2.24 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.203 1.401 . . . . 0.0 112.327 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.12 164.52 33.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.416 2.286 . . . . 0.0 109.654 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.3 m -61.7 129.67 42.16 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.779 1.232 . . . . 0.0 114.201 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.43 -19.21 61.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.654 1.182 . . . . 0.0 113.999 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.43 -0.26 3.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 114.879 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.77 19.9 3.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.217 1.807 . . . . 0.0 112.517 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -141.17 -73.04 0.34 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.238 1.415 . . . . 0.0 111.563 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -98.39 126.93 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -136.73 3.97 2.77 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.095 1.358 . . . . 0.0 114.147 -170.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.78 8.26 82.95 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.647 1.594 . . . . 0.0 114.082 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.744 2.018 . . . . 0.0 113.442 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -168.37 160.97 11.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.508 1.923 . . . . 0.0 110.75 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -163.18 173.71 13.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.366 1.466 . . . . 0.0 111.996 -175.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.4 161.69 41.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.066 1.747 . . . . 0.0 111.659 -172.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 174.05 15.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.181 1.792 . . . . 0.0 111.892 -174.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -137.0 146.94 45.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.883 1.673 . . . . 0.0 110.97 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -93.56 8.45 40.69 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.571 1.148 . . . . 0.0 112.805 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -155.64 138.17 15.01 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.35 1.46 . . . . 0.0 110.564 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -164.06 171.01 15.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.382 1.873 . . . . 0.0 110.427 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.19 153.93 22.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.607 1.563 . . . . 0.0 112.82 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -163.78 150.05 11.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.727 2.011 . . . . 0.0 110.372 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 t -160.31 144.69 14.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.252 1.021 . . . . 0.0 112.141 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -163.89 154.38 15.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.692 1.997 . . . . 0.0 110.541 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -156.06 146.73 21.92 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.047 1.339 . . . . 0.0 111.818 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -159.75 144.4 15.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.282 1.833 . . . . 0.0 110.831 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.86 150.8 13.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.187 1.395 . . . . 0.0 110.535 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 m -106.02 15.89 25.83 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.725 1.61 . . . . 0.0 113.36 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -155.4 147.26 23.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.196 1.799 . . . . 0.0 110.234 -173.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -163.72 167.32 21.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.428 1.891 . . . . 0.0 111.033 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.66 136.05 57.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.237 1.015 . . . . 0.0 111.439 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -161.08 -166.75 1.64 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.311 1.444 . . . . 0.0 111.152 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.22 163.63 39.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.868 1.667 . . . . 0.0 112.126 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.77 172.84 17.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.962 1.705 . . . . 0.0 111.696 -175.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -154.49 163.68 39.83 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.439 1.496 . . . . 0.0 111.61 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.78 146.48 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.651 1.981 . . . . 0.0 109.878 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.96 144.37 24.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.736 1.215 . . . . 0.0 112.057 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -166.15 178.48 6.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.598 1.959 . . . . 0.0 110.282 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -154.3 146.89 24.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.201 1.401 . . . . 0.0 113.04 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -165.84 143.64 5.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.233 2.213 . . . . 0.0 109.918 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -163.45 165.59 23.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 113.051 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.34 15.86 4.1 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.775 1.63 . . . . 0.0 112.252 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.75 30.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.723 2.009 . . . . 0.0 111.222 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -154.46 137.46 10.27 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.272 1.429 . . . . 0.0 110.815 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -73.28 -25.74 15.31 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.958 2.439 . . . . 0.0 113.949 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -166.54 160.0 14.87 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.363 1.465 . . . . 0.0 112.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.04 135.97 6.78 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 117.999 -1.445 . . . . 0.0 111.498 170.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.08 145.02 19.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.404 2.736 . . . . 0.0 111.681 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -161.89 152.61 17.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.113 1.765 . . . . 0.0 111.61 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -69.83 152.5 44.49 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.231 1.012 . . . . 0.0 113.393 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.09 153.79 19.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.62 1.168 . . . . 0.0 111.856 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 66.16 10.77 7.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.415 1.886 . . . . 0.0 115.256 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.88 -0.23 54.84 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 149.58 38.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.24 1.416 . . . . 0.0 113.243 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 132.33 46.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.836 0.854 . . . . 0.0 111.55 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -157.92 155.14 29.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.867 1.667 . . . . 0.0 110.807 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -139.93 141.55 36.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.348 1.459 . . . . 0.0 111.574 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -155.86 147.35 22.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.135 1.774 . . . . 0.0 111.425 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 65.09 10.31 6.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.374 1.87 . . . . 0.0 114.25 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.58 -170.0 37.3 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.416 1.484 . . . . 0.0 113.677 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.2 84.01 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.498 1.047 . . . . 0.0 114.689 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.54 -159.33 15.04 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.433 1.492 . . . . 0.0 113.169 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -159.29 160.58 35.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.086 1.354 . . . . 0.0 111.357 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -160.0 152.28 20.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.25 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -121.65 160.34 24.64 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.422 1.489 . . . . 0.0 112.514 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.5 142.08 18.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.292 1.837 . . . . 0.0 109.959 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp 57.17 37.32 28.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.619 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.92 140.11 58.33 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.274 1.43 . . . . 0.0 112.624 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -126.15 170.89 11.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.534 1.534 . . . . 0.0 111.5 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.8 m -138.31 163.76 30.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.746 1.219 . . . . 0.0 112.093 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -62.21 144.41 55.54 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.617 1.167 . . . . 0.0 113.279 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -77.31 -25.83 51.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -162.17 159.79 26.35 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.746 1.619 . . . . 0.0 111.523 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -167.76 158.35 10.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.486 1.915 . . . . 0.0 110.984 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 t -163.6 144.1 8.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.242 1.417 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.62 -1.19 57.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.949 1.699 . . . . 0.0 113.397 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.74 152.08 45.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.836 1.254 . . . . 0.0 112.522 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 73.2 30.79 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.547 1.939 . . . . 0.0 113.066 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -151.44 155.76 39.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.925 1.29 . . . . 0.0 112.071 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -100.71 -8.53 22.72 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.48 1.512 . . . . 0.0 113.441 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.79 148.03 12.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.978 1.311 . . . . 0.0 112.309 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -167.43 166.51 14.36 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.717 2.007 . . . . 0.0 109.546 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 77.11 -2.12 2.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.882 2.473 . . . . 0.0 114.263 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -74.72 27.29 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -83.48 -15.32 49.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.335 1.854 . . . . 0.0 114.401 -170.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 80.14 10.52 85.41 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.967 1.27 . . . . 0.0 114.225 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.378 1.871 . . . . 0.0 113.597 -178.78 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.054 0.02 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.49 125.26 13.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.498 1.519 . . . . 0.0 108.997 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t 69.64 -30.07 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.291 2.236 . . . . 0.0 114.491 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.98 167.99 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.02 146.9 25.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.435 1.494 . . . . 0.0 110.783 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -160.31 143.94 13.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.909 1.284 . . . . 0.0 112.03 -175.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -161.51 134.42 6.19 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.93 1.692 . . . . 0.0 109.394 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.56 27.13 2.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.214 1.406 . . . . 0.0 111.445 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -158.26 162.81 37.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.357 1.463 . . . . 0.0 112.355 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -149.15 23.04 0.95 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.617 . . . . 0.0 112.911 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.56 139.7 57.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.607 1.563 . . . . 0.0 113.089 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 t -163.54 -177.64 5.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.505 1.522 . . . . 0.0 111.409 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -150.86 168.7 23.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.697 1.599 . . . . 0.0 112.27 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -157.96 172.81 17.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.802 1.641 . . . . 0.0 111.776 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -154.52 147.55 24.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.219 1.408 . . . . 0.0 111.351 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -160.62 139.91 10.66 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.906 1.682 . . . . 0.0 109.933 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -64.38 131.52 47.46 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.459 1.103 . . . . 0.0 113.349 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.46 0.17 47.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.574 1.549 . . . . 0.0 113.703 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 p -81.66 -0.63 43.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.013 1.725 . . . . 0.0 114.304 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.58 115.42 7.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.742 1.217 . . . . 0.0 110.859 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.7 m -170.75 160.92 7.17 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.461 2.304 . . . . 0.0 110.332 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.78 142.7 46.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.192 0.997 . . . . 0.0 111.986 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.03 157.72 21.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.013 1.725 . . . . 0.0 111.49 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -161.17 163.15 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.971 1.708 . . . . 0.0 110.909 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.13 139.4 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.688 1.995 . . . . 0.0 110.622 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -165.07 161.46 19.7 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.96 1.704 . . . . 0.0 111.187 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 t -160.57 141.53 11.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.273 1.429 . . . . 0.0 110.986 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -163.04 164.66 25.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.561 1.544 . . . . 0.0 112.659 -169.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -156.58 136.86 12.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.125 1.77 . . . . 0.0 110.388 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -165.57 167.47 17.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.863 1.265 . . . . 0.0 112.626 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -157.48 149.08 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.274 1.83 . . . . 0.0 110.672 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.64 159.43 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.041 1.336 . . . . 0.0 112.403 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -152.82 136.7 10.24 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.656 1.582 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.82 -17.26 25.82 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.213 2.608 . . . . 0.0 114.778 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -162.64 150.37 13.85 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.362 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.39 -172.42 47.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.314 1.435 . . . . 0.0 113.146 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.92 136.06 31.61 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.569 2.846 . . . . 0.0 110.897 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -101.57 1.35 37.79 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.036 1.334 . . . . 0.0 113.214 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -129.31 157.79 40.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.848 1.659 . . . . 0.0 112.424 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -158.37 175.72 13.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.11 2.164 . . . . 0.0 110.337 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -149.75 157.26 43.05 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -160.07 146.33 15.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.751 2.021 . . . . 0.0 110.313 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -143.94 168.13 20.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.514 1.126 . . . . 0.0 112.201 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -156.36 164.23 38.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.402 1.481 . . . . 0.0 111.437 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -77.83 -1.11 29.94 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -78.97 81.75 5.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.635 1.174 . . . . 0.0 110.755 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -112.75 2.73 16.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.574 1.549 . . . . 0.0 114.031 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -82.79 -4.73 58.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.31 65.89 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.089 0.852 . . . . 0.0 114.797 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.99 -126.88 8.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.978 1.275 . . . . 0.0 112.296 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.55 -169.02 37.41 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.806 1.193 . . . . 0.0 113.988 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -160.04 167.91 26.8 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.269 1.428 . . . . 0.0 111.459 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -159.29 142.74 14.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 136.63 13.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.863 1.265 . . . . 0.0 111.315 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.21 147.6 48.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 112.29 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.09 15.65 0.27 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.025 1.33 . . . . 0.0 114.17 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.69 -26.47 63.43 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 m -75.71 151.55 37.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.536 1.135 . . . . 0.0 112.95 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.7 p -157.77 159.12 36.44 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.879 1.272 . . . . 0.0 111.96 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -78.6 143.09 36.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.812 0.845 . . . . 0.0 113.212 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -156.26 135.6 12.22 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.998 1.719 . . . . 0.0 110.446 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.13 160.28 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.372 1.469 . . . . 0.0 112.288 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -162.37 158.33 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.898 1.679 . . . . 0.0 111.309 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.9 p -165.31 168.03 17.28 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.856 1.263 . . . . 0.0 112.328 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -156.75 135.1 11.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.84 1.656 . . . . 0.0 110.407 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.93 147.28 8.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 110.585 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.12 157.38 34.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.992 1.717 . . . . 0.0 110.896 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -164.89 -48.49 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.414 1.086 . . . . 0.0 112.421 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -160.75 140.69 11.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.577 1.551 . . . . 0.0 111.05 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -167.51 157.95 11.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.827 1.651 . . . . 0.0 111.404 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.77 15.33 4.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.404 1.482 . . . . 0.0 112.311 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.29 110.1 18.31 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.171 1.388 . . . . 0.0 111.952 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -86.44 81.14 8.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -83.91 -5.33 59.19 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.06 10.86 85.74 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.77 1.176 . . . . 0.0 114.651 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.192 1.797 . . . . 0.0 114.007 -179.165 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.79 161.98 18.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.155 1.382 . . . . 0.0 111.628 -169.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 150.27 14.44 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.39 1.476 . . . . 0.0 110.686 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -148.11 143.62 27.27 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.846 1.658 . . . . 0.0 110.659 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.21 125.29 46.35 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.27 . . . . 0.0 108.784 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -163.18 151.22 13.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.235 1.414 . . . . 0.0 111.519 -171.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -160.32 160.33 32.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.503 1.521 . . . . 0.0 110.94 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.79 128.13 34.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.724 0.81 . . . . 0.0 110.87 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 m -168.04 160.63 12.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.903 2.081 . . . . 0.0 110.596 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -158.47 159.02 35.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.452 1.501 . . . . 0.0 112.301 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -160.96 155.87 23.98 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.282 1.833 . . . . 0.0 110.926 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -161.03 156.45 24.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.847 1.259 . . . . 0.0 111.95 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -158.29 150.42 21.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.92 1.688 . . . . 0.0 111.326 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -159.37 153.62 23.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.172 1.789 . . . . 0.0 111.031 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -161.93 143.39 11.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 111.271 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -146.89 149.32 33.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.898 1.679 . . . . 0.0 110.525 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -81.92 76.15 8.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.949 0.88 . . . . 0.0 111.11 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -143.04 144.23 32.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.233 1.813 . . . . 0.0 110.359 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -164.16 179.99 6.53 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 111.519 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -74.87 144.73 43.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.363 1.465 . . . . 0.0 111.609 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.6 p -155.24 176.05 13.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.286 1.434 . . . . 0.0 112.206 -176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.26 140.54 19.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.236 1.414 . . . . 0.0 110.494 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.81 172.39 13.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.963 1.305 . . . . 0.0 113.548 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -152.78 162.13 41.66 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.026 1.731 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 p -163.43 149.43 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.056 1.742 . . . . 0.0 110.615 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -152.5 150.13 29.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.17 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.8 p -161.75 171.66 17.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.149 1.38 . . . . 0.0 112.615 -171.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.86 150.63 28.6 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.04 149.33 21.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.554 1.541 . . . . 0.0 111.66 -173.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -146.82 164.09 33.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.513 1.525 . . . . 0.0 112.229 -171.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -147.09 139.58 24.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.508 . . . . 0.0 111.128 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.83 177.27 8.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.054 1.742 . . . . 0.0 111.415 -173.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.08 139.05 72.33 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 124.065 0.946 . . . . 0.0 112.286 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -64.08 12.99 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 125.103 3.869 . . . . 0.0 115.931 169.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.45 -178.35 4.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.768 2.427 . . . . 0.0 110.73 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.63 -135.69 1.61 Allowed Glycine 0 CA--C 1.544 1.882 0 C-N-CA 125.191 1.376 . . . . 0.0 113.052 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.46 152.41 47.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.849 3.033 . . . . 0.0 112.698 171.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.39 -16.75 62.42 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -167.69 175.1 7.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.101 2.16 . . . . 0.0 111.705 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -156.16 153.15 28.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.443 1.497 . . . . 0.0 111.013 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.58 131.55 35.21 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.87 0.868 . . . . 0.0 111.967 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -159.06 117.68 2.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.791 1.636 . . . . 0.0 110.194 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.0 p -171.74 173.45 4.58 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.286 1.434 . . . . 0.0 111.713 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.19 162.06 36.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.976 1.71 . . . . 0.0 110.734 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -158.26 168.11 27.94 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.236 1.414 . . . . 0.0 112.025 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -157.43 149.98 22.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.775 1.63 . . . . 0.0 110.73 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -147.97 172.11 14.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.731 1.612 . . . . 0.0 112.569 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.58 133.97 51.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.88 163.99 10.17 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.372 1.463 . . . . 0.0 113.481 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.0 -160.79 53.59 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.51 1.052 . . . . 0.0 113.351 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.94 141.19 6.82 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 124.675 1.131 . . . . 0.0 112.725 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 p -77.94 -7.08 56.3 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -154.47 140.75 18.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.28 1.832 . . . . 0.0 110.18 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -104.95 140.01 38.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.572 1.149 . . . . 0.0 111.68 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -73.86 148.58 42.21 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.532 1.133 . . . . 0.0 112.065 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -159.88 92.88 1.04 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.198 1.399 . . . . 0.0 110.024 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.89 -17.0 61.05 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 m -66.8 -13.98 62.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.916 1.286 . . . . 0.0 113.634 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -79.64 4.48 15.92 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.436 1.094 . . . . 0.0 113.368 171.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.11 167.88 20.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.634 1.974 . . . . 0.0 111.514 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -155.35 -42.52 0.08 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.327 1.051 . . . . 0.0 113.508 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -161.02 155.63 23.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.396 1.478 . . . . 0.0 111.437 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.0 p -153.03 5.7 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.678 1.991 . . . . 0.0 113.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 155.47 26.55 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.703 -1.248 . . . . 0.0 113.486 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -157.28 146.79 20.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.165 1.786 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.7 137.86 7.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.857 1.263 . . . . 0.0 110.821 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.06 4.06 3.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.742 1.617 . . . . 0.0 113.782 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -162.79 -178.15 5.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.889 1.675 . . . . 0.0 111.177 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.11 131.23 12.69 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.79 1.636 . . . . 0.0 111.497 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -150.6 169.53 21.34 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.033 2.133 . . . . 0.0 110.107 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -136.89 128.93 29.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.007 1.323 . . . . 0.0 110.165 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -169.82 176.72 4.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.73 2.412 . . . . 0.0 110.736 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -82.45 126.36 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -140.27 1.73 1.82 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.699 1.6 . . . . 0.0 113.975 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.59 108.24 1.94 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.969 1.747 . . . . 0.0 111.016 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.478 1.911 . . . . 0.0 111.909 -177.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.73 150.74 37.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.822 1.649 . . . . 0.0 110.192 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 m -164.46 149.67 10.09 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.152 1.781 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -158.35 140.58 14.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.253 1.821 . . . . 0.0 108.705 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.0 tp -154.61 124.07 6.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.106 1.362 . . . . 0.0 110.302 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -165.95 137.88 3.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.313 1.845 . . . . 0.0 110.353 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -163.25 132.45 4.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.714 1.206 . . . . 0.0 110.443 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -150.25 12.03 0.73 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.616 1.166 . . . . 0.0 113.861 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.8 m 67.49 176.97 0.25 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.852 2.061 . . . . 0.0 114.258 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -156.23 128.13 7.39 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.805 1.642 . . . . 0.0 110.488 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -166.95 165.83 15.73 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.224 1.809 . . . . 0.0 110.968 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.1 p -149.85 140.61 22.69 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.048 1.339 . . . . 0.0 111.75 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -166.18 177.51 6.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.657 1.583 . . . . 0.0 111.606 -169.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -133.46 156.06 48.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.733 1.613 . . . . 0.0 110.742 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -66.67 -22.55 66.09 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -163.3 153.63 15.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.606 1.962 . . . . 0.0 109.672 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.6 p -139.72 -2.56 1.54 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.454 1.501 . . . . 0.0 114.352 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.5 161.03 43.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.891 1.276 . . . . 0.0 112.188 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.2 p -163.93 178.88 7.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.92 1.288 . . . . 0.0 112.187 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -125.62 132.18 52.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.443 1.497 . . . . 0.0 109.878 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 t -167.05 -176.57 3.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.135 1.774 . . . . 0.0 110.518 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -154.47 124.51 6.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.246 1.419 . . . . 0.0 110.308 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.0 61.71 5.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.127 1.371 . . . . 0.0 111.829 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.99 36.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.899 2.08 . . . . 0.0 113.991 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.15 137.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.962 2.505 . . . . 0.0 109.431 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.05 136.5 5.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.534 1.534 . . . . 0.0 110.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -150.67 140.6 21.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.471 1.509 . . . . 0.0 111.132 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.75 141.31 10.05 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 111.023 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.06 138.8 8.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.805 1.642 . . . . 0.0 111.173 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -166.71 167.76 14.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.496 1.518 . . . . 0.0 112.087 -176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.67 157.49 33.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.68 1.592 . . . . 0.0 111.965 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.01 159.29 29.23 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.692 1.597 . . . . 0.0 111.455 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.45 129.09 94.01 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.791 0.836 . . . . 0.0 111.445 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.09 -16.11 14.26 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.175 2.583 . . . . 0.0 114.684 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -141.1 134.62 29.95 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.513 1.125 . . . . 0.0 111.643 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.38 50.09 61.73 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 117.529 -1.706 . . . . 0.0 114.897 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.5 176.85 6.76 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.691 2.928 . . . . 0.0 111.76 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -68.78 128.54 37.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.304 1.042 . . . . 0.0 111.703 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.44 176.85 9.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.317 1.847 . . . . 0.0 112.617 -172.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.43 174.76 14.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.017 1.727 . . . . 0.0 111.313 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -150.46 158.2 43.89 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.867 1.267 . . . . 0.0 112.939 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -158.25 121.31 3.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.728 1.611 . . . . 0.0 110.458 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.3 p -172.04 169.06 5.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.339 1.456 . . . . 0.0 111.603 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.63 1.97 0.71 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.698 1.199 . . . . 0.0 114.16 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.3 152.63 44.76 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.565 1.146 . . . . 0.0 112.874 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -160.09 146.4 15.75 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.647 1.979 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.41 148.2 28.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.511 1.124 . . . . 0.0 113.109 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -127.95 143.09 51.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.369 1.467 . . . . 0.0 110.298 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.48 -1.05 78.62 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.438 1.018 . . . . 0.0 114.729 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.36 -63.47 4.15 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.58 1.562 . . . . 0.0 111.835 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.64 -154.79 31.38 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.544 1.545 . . . . 0.0 112.202 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -158.9 160.14 35.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 111.907 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -160.96 146.89 14.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.135 1.374 . . . . 0.0 111.607 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.95 161.08 37.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.834 1.654 . . . . 0.0 112.045 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -131.61 -22.14 2.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.724 1.609 . . . . 0.0 113.706 -174.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp 61.9 63.32 1.13 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.817 2.047 . . . . 0.0 111.2 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -142.17 149.77 40.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.664 1.586 . . . . 0.0 112.574 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -152.52 158.37 42.44 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 110.689 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 t -161.11 -35.88 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 113.933 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.48 126.69 1.95 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.962 1.305 . . . . 0.0 111.961 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -79.87 -1.69 40.23 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -134.84 -24.25 1.5 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.756 1.223 . . . . 0.0 113.889 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -111.16 8.16 21.55 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.44 1.496 . . . . 0.0 113.25 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -156.81 -171.69 3.76 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.478 . . . . 0.0 111.702 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.91 113.7 24.51 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.204 1.802 . . . . 0.0 110.699 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.25 140.96 29.18 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.305 1.442 . . . . 0.0 111.183 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -152.89 63.6 0.78 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.204 1.402 . . . . 0.0 109.756 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 t -162.65 132.34 4.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.445 1.498 . . . . 0.0 109.734 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -167.15 -179.35 4.54 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.389 1.476 . . . . 0.0 111.519 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.26 159.36 31.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.521 1.129 . . . . 0.0 111.76 169.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.79 -16.17 63.24 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.04 163.26 11.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.957 2.103 . . . . 0.0 111.781 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -78.35 63.23 3.18 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -88.34 -11.35 46.54 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.905 1.282 . . . . 0.0 114.167 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.64 15.18 76.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.901 1.239 . . . . 0.0 114.432 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.326 1.851 . . . . 0.0 111.874 -175.015 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.4 152.22 40.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.907 1.683 . . . . 0.0 110.183 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -161.85 162.09 29.22 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.105 1.362 . . . . 0.0 111.401 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.39 159.44 28.24 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.011 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -157.64 173.43 16.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.607 1.563 . . . . 0.0 112.208 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.21 149.09 17.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.378 1.871 . . . . 0.0 110.317 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -142.96 135.79 27.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.863 1.265 . . . . 0.0 110.464 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -163.07 136.22 5.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.926 1.69 . . . . 0.0 109.566 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 p -126.01 1.37 7.27 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -162.31 146.68 12.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.037 1.735 . . . . 0.0 111.263 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -160.06 137.63 9.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.992 1.717 . . . . 0.0 110.746 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.9 p -167.44 176.74 6.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.103 1.361 . . . . 0.0 112.405 -172.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.6 156.54 47.66 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.779 1.632 . . . . 0.0 111.27 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -66.62 149.76 50.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.398 1.079 . . . . 0.0 112.588 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -72.48 138.41 47.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.996 0.918 . . . . 0.0 112.058 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -158.68 131.29 6.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.575 1.55 . . . . 0.0 109.601 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 t -165.89 164.47 18.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.458 1.503 . . . . 0.0 111.078 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -143.41 8.59 1.58 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.9 m -69.45 -4.55 19.13 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.086 -1.634 . . . . 0.0 115.094 -169.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 -10.75 59.83 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.119 1.368 . . . . 0.0 112.263 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.6 m -134.89 169.45 17.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.482 1.513 . . . . 0.0 112.82 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.89 150.34 22.47 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.741 1.616 . . . . 0.0 110.741 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.71 167.37 21.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.561 1.544 . . . . 0.0 112.073 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.19 159.44 37.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.429 1.892 . . . . 0.0 110.551 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -165.65 142.25 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.912 1.685 . . . . 0.0 110.962 -172.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.35 141.41 12.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.125 1.77 . . . . 0.0 110.578 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -164.09 149.7 10.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.33 1.852 . . . . 0.0 111.226 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.93 150.55 15.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.009 1.724 . . . . 0.0 111.058 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -156.93 131.3 8.57 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.55 1.54 . . . . 0.0 110.885 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -168.5 -177.27 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.858 1.663 . . . . 0.0 111.097 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -153.57 139.3 17.96 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.139 1.776 . . . . 0.0 111.194 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.66 156.52 30.12 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.998 1.719 . . . . 0.0 110.705 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -141.48 149.13 53.26 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.653 1.181 . . . . 0.0 112.046 -170.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.26 -10.88 29.05 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.782 2.988 . . . . 0.0 114.844 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -155.39 150.61 26.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.482 1.913 . . . . 0.0 110.716 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.39 -100.04 1.57 Allowed Glycine 0 CA--C 1.535 1.292 0 CA-C-O 117.726 -1.597 . . . . 0.0 111.374 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.93 -25.01 39.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.358 2.705 . . . . 0.0 113.285 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.87 -11.79 60.04 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.788 1.235 . . . . 0.0 113.489 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -107.68 165.06 11.71 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.89 1.676 . . . . 0.0 112.337 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -156.65 156.97 34.39 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.614 . . . . 0.0 111.036 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.11 139.18 30.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 111.34 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -161.22 148.78 15.22 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.937 1.695 . . . . 0.0 111.723 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.9 p -172.36 -178.54 2.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.613 1.565 . . . . 0.0 111.211 -170.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.16 131.4 18.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.29 1.436 . . . . 0.0 109.434 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -164.02 167.98 19.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.614 1.566 . . . . 0.0 111.718 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -163.38 164.31 24.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.126 1.77 . . . . 0.0 111.683 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.05 151.54 42.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.963 0.905 . . . . 0.0 112.051 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -69.66 151.47 45.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.634 0.774 . . . . 0.0 111.876 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.52 -170.29 43.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.338 0.971 . . . . 0.0 113.859 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.75 -11.7 67.92 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.243 1.402 . . . . 0.0 114.753 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.76 31.36 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.325 1.44 . . . . 0.0 112.546 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -163.94 164.21 23.31 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.92 1.288 . . . . 0.0 112.229 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -161.86 165.45 27.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.129 1.771 . . . . 0.0 111.601 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -157.04 137.16 12.69 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.108 1.363 . . . . 0.0 111.312 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -153.21 85.01 1.2 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.318 1.447 . . . . 0.0 110.416 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -171.42 102.76 0.2 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.522 2.329 . . . . 0.0 108.101 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -157.16 144.74 18.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 m -64.46 134.19 54.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.408 1.083 . . . . 0.0 112.323 171.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.2 p -122.96 7.85 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.166 1.386 . . . . 0.0 113.879 -172.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 147.93 23.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.44 1.496 . . . . 0.0 111.618 -174.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -158.16 175.13 14.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.066 1.747 . . . . 0.0 111.832 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -147.46 133.8 19.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.166 1.386 . . . . 0.0 110.989 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -168.77 179.99 3.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.16 1.784 . . . . 0.0 110.856 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.9 m -160.4 129.51 4.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.665 1.986 . . . . 0.0 110.464 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.19 -18.12 23.93 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -171.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -163.61 135.63 5.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.411 1.484 . . . . 0.0 110.816 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -164.17 132.08 3.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.204 1.802 . . . . 0.0 109.677 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 t -165.02 162.41 20.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.045 1.338 . . . . 0.0 111.965 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -133.6 17.78 3.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.071 2.148 . . . . 0.0 111.472 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.89 -3.14 20.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -160.35 139.91 11.01 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.99 1.716 . . . . 0.0 109.424 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -77.18 6.34 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -57.7 -16.62 11.45 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -78.21 -24.49 47.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.377 2.271 . . . . 0.0 113.368 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.91 21.33 76.7 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.19 1.376 . . . . 0.0 115.987 168.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.238 1.415 . . . . 0.0 113.847 -176.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.46 0.171 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.86 165.54 11.64 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.425 1.89 . . . . 0.0 110.674 -172.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -160.88 149.89 16.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.082 1.753 . . . . 0.0 110.742 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.41 162.13 38.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.913 1.685 . . . . 0.0 110.767 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -148.03 126.67 12.52 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.552 1.541 . . . . 0.0 109.257 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.62 8.83 7.02 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.804 1.242 . . . . 0.0 113.374 -174.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -70.99 -24.78 62.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.086 0.954 . . . . 0.0 111.968 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -144.14 112.41 6.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.587 1.955 . . . . 0.0 107.712 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -156.18 18.44 0.36 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.25 141.85 25.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.418 . . . . 0.0 112.014 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -163.26 156.54 19.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.913 2.085 . . . . 0.0 110.32 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -159.64 156.18 27.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.434 1.093 . . . . 0.0 112.549 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -157.45 146.56 19.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.106 1.763 . . . . 0.0 110.973 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -162.66 162.68 27.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.25 1.82 . . . . 0.0 111.088 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -157.26 128.89 6.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.845 1.258 . . . . 0.0 111.059 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -149.78 151.43 33.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.285 1.834 . . . . 0.0 110.137 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.6 m -65.47 130.35 42.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.061 0.944 . . . . 0.0 112.427 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.83 142.02 11.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.576 1.55 . . . . 0.0 109.963 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -161.65 -179.73 7.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.421 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 136.62 50.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.16 1.384 . . . . 0.0 111.211 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -75.4 157.53 34.03 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -157.81 140.15 14.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.812 1.645 . . . . 0.0 110.009 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.34 153.98 41.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.471 1.108 . . . . 0.0 113.405 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.14 167.79 20.86 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.433 1.493 . . . . 0.0 113.159 174.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.14 142.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.374 1.47 . . . . 0.0 110.562 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -162.9 171.12 17.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.741 2.016 . . . . 0.0 110.408 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -145.55 134.29 22.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.592 1.157 . . . . 0.0 111.896 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -165.31 160.78 18.62 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.367 2.267 . . . . 0.0 110.202 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -152.43 149.92 29.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.777 1.231 . . . . 0.0 113.024 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -167.2 176.8 6.54 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.892 2.077 . . . . 0.0 110.144 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -159.11 157.97 32.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.473 1.509 . . . . 0.0 112.897 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.0 146.41 17.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.279 1.832 . . . . 0.0 110.346 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -69.99 121.92 84.44 Favored Pre-proline 0 CA--C 1.554 1.126 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.18 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.95 -23.55 6.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.967 2.445 . . . . 0.0 114.112 -169.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -147.76 139.76 24.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.07 1.348 . . . . 0.0 111.256 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.2 85.37 0.39 Allowed Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.241 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.78 172.62 15.46 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.798 2.999 . . . . 0.0 112.236 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -143.93 141.5 30.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.464 1.505 . . . . 0.0 111.225 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -85.93 151.41 23.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.904 1.281 . . . . 0.0 114.068 -169.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -150.64 139.55 20.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.49 1.916 . . . . 0.0 109.196 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -141.46 152.16 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.088 1.355 . . . . 0.0 112.173 -173.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.95 156.81 27.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.205 1.802 . . . . 0.0 111.89 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 p -170.04 -43.86 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -135.92 144.61 45.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.586 1.554 . . . . 0.0 110.728 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.09 -1.32 2.41 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.598 1.159 . . . . 0.0 113.863 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -81.12 149.97 28.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.805 1.242 . . . . 0.0 113.099 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -144.68 14.82 1.57 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 113.258 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -150.41 171.51 16.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.63 2.372 . . . . 0.0 109.623 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.56 36.12 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.717 1.151 . . . . 0.0 114.523 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.43 119.32 6.56 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.53 1.86 90.29 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.567 1.08 . . . . 0.0 114.772 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 p -136.17 0.62 2.61 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.724 1.262 . . . . 0.0 114.245 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -70.31 161.09 31.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.972 1.309 . . . . 0.0 113.362 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.4 164.39 36.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.352 1.461 . . . . 0.0 113.413 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -84.03 -177.36 6.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.381 1.472 . . . . 0.0 112.282 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.89 93.57 2.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.161 1.784 . . . . 0.0 108.313 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -66.7 -22.45 66.07 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.993 1.317 . . . . 0.0 114.446 -172.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.9 m -140.45 128.29 21.86 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.785 1.234 . . . . 0.0 111.143 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.9 p -168.19 165.85 13.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 111.224 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -161.3 138.08 8.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.026 1.33 . . . . 0.0 111.102 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -147.66 141.17 25.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.205 1.402 . . . . 0.0 111.934 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -105.03 -6.65 19.81 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.321 . . . . 0.0 113.322 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -77.45 -4.98 48.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 t -164.69 175.63 9.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.291 1.836 . . . . 0.0 110.957 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.89 136.15 45.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.813 1.245 . . . . 0.0 111.951 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.53 127.02 4.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.155 1.382 . . . . 0.0 110.069 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -169.51 146.68 3.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.218 1.807 . . . . 0.0 109.822 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -141.19 165.75 26.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.757 1.623 . . . . 0.0 111.645 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -150.15 143.99 25.4 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.272 1.429 . . . . 0.0 111.56 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.89 121.73 23.31 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.467 1.107 . . . . 0.0 110.976 -172.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -165.94 149.8 7.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.141 2.176 . . . . 0.0 108.652 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.34 137.02 57.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.144 0.978 . . . . 0.0 112.57 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -96.4 115.41 27.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -141.3 5.42 1.86 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.99 48.62 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.189 1.376 . . . . 0.0 111.782 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.365 1.866 . . . . 0.0 112.713 -169.537 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.25 164.18 25.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.964 1.706 . . . . 0.0 110.891 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.47 165.16 31.49 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.752 1.221 . . . . 0.0 111.727 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.61 158.66 44.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.891 2.076 . . . . 0.0 110.569 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -154.0 158.39 40.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.307 1.443 . . . . 0.0 112.584 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -163.01 157.58 21.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.461 1.904 . . . . 0.0 110.926 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -152.23 -1.3 0.29 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.602 1.561 . . . . 0.0 114.23 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -164.72 108.03 0.89 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.802 1.183 . . . . 0.0 110.679 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.3 p -156.63 12.08 0.26 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -159.03 142.19 14.6 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.929 1.692 . . . . 0.0 111.224 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -162.76 171.05 17.36 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.141 1.776 . . . . 0.0 111.0 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 155.46 43.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.001 1.321 . . . . 0.0 112.942 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.77 150.12 38.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.184 1.393 . . . . 0.0 111.375 -169.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.96 157.29 43.89 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.27 1.428 . . . . 0.0 111.694 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -158.69 147.36 18.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.43 1.492 . . . . 0.0 111.428 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -159.92 129.9 5.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.59 1.556 . . . . 0.0 109.863 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -82.54 -19.13 39.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -169.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.77 2.31 46.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.265 1.026 . . . . 0.0 113.556 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -75.24 3.64 8.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.094 1.358 . . . . 0.0 114.436 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.13 138.93 17.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.098 1.759 . . . . 0.0 109.93 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -162.72 -178.61 6.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.276 1.43 . . . . 0.0 111.396 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.12 151.09 22.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.356 1.862 . . . . 0.0 110.097 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.38 39.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.673 1.189 . . . . 0.0 113.01 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -160.74 170.67 20.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.421 1.888 . . . . 0.0 110.657 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -131.66 124.21 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.235 1.814 . . . . 0.0 109.043 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.64 -5.18 58.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.309 1.443 . . . . 0.0 114.195 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.0 m -68.22 150.51 48.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.006 1.322 . . . . 0.0 113.169 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -153.38 139.59 18.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.577 1.551 . . . . 0.0 110.826 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -162.52 159.25 24.63 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.619 1.567 . . . . 0.0 111.546 -172.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -144.73 4.14 1.13 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.323 1.849 . . . . 0.0 113.61 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.01 155.66 40.27 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.678 1.191 . . . . 0.0 112.808 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 152.61 40.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.161 1.384 . . . . 0.0 111.877 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -146.12 154.67 50.57 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.193 1.797 . . . . 0.0 111.638 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.58 -12.34 24.63 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.606 2.871 . . . . 0.0 113.916 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -140.91 140.41 34.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.98 1.312 . . . . 0.0 111.657 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.88 16.31 Favored Glycine 0 CA--C 1.54 1.611 0 CA-C-O 118.221 -1.321 . . . . 0.0 111.831 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.07 -30.87 90.21 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.8 3.0 . . . . 0.0 114.203 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t70 68.76 5.57 5.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.891 2.077 . . . . 0.0 115.005 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.09 133.94 56.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.081 1.352 . . . . 0.0 113.2 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.47 145.07 53.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.507 1.123 . . . . 0.0 111.583 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -139.96 140.32 36.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.262 1.425 . . . . 0.0 111.445 -173.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -145.0 163.33 34.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.174 1.79 . . . . 0.0 111.857 -176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -80.11 -179.75 7.2 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.03 0.932 . . . . 0.0 112.518 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -158.09 148.23 20.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.088 1.755 . . . . 0.0 110.064 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.43 51.52 1.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.704 1.602 . . . . 0.0 112.927 -172.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -78.98 81.07 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.347 1.459 . . . . 0.0 110.842 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 54.86 -144.66 0.67 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.003 1.721 . . . . 0.0 111.54 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 66.99 -165.81 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.232 1.813 . . . . 0.0 111.959 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -120.27 12.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.055 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.88 5.07 72.09 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.013 1.292 . . . . 0.0 114.633 176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -71.85 176.45 39.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.915 1.245 . . . . 0.0 114.176 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -160.49 -178.99 7.28 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.212 1.405 . . . . 0.0 112.288 -171.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -151.43 147.12 26.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.876 1.27 . . . . 0.0 111.979 -176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.24 139.86 30.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.244 . . . . 0.0 111.667 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -129.01 149.63 50.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.779 1.632 . . . . 0.0 111.159 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.99 -13.55 59.84 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.624 1.17 . . . . 0.0 112.838 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -67.27 160.07 27.85 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.37 1.468 . . . . 0.0 113.153 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -58.1 152.82 15.96 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 112.727 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.5 m 70.23 12.53 7.64 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.549 1.54 . . . . 0.0 114.287 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.44 -34.8 72.87 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.914 -1.116 . . . . 0.0 111.562 168.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 63.39 -170.75 0.18 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.932 2.093 . . . . 0.0 113.125 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -79.26 166.22 22.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.384 1.473 . . . . 0.0 113.481 -174.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.5 m -137.09 171.89 13.83 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.37 1.868 . . . . 0.0 110.804 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -145.85 149.47 34.36 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.796 -1.19 . . . . 0.0 112.24 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.3 163.11 22.68 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.407 2.283 . . . . 0.0 110.085 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.03 117.82 10.4 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.434 1.094 . . . . 0.0 111.211 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -161.48 126.32 3.5 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.428 1.491 . . . . 0.0 110.038 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -81.55 33.88 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.304 1.442 . . . . 0.0 113.922 -171.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.69 -19.18 63.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.054 1.341 . . . . 0.0 113.727 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -147.02 161.34 41.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.145 2.178 . . . . 0.0 110.273 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.54 133.0 49.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.115 1.366 . . . . 0.0 111.307 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.45 131.74 40.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.144 1.377 . . . . 0.0 112.142 173.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -83.63 76.67 9.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -106.27 -8.08 17.47 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.974 1.31 . . . . 0.0 114.378 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.58 15.59 70.59 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.155 1.359 . . . . 0.0 114.672 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.325 1.85 . . . . 0.0 112.507 -174.124 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.571 0.224 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -143.87 141.33 30.25 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.86 1.664 . . . . 0.0 109.847 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -161.24 -8.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.36 140.05 31.09 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.937 1.695 . . . . 0.0 112.117 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -96.09 69.25 2.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 110.149 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 69.72 -177.31 0.21 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.084 2.154 . . . . 0.0 112.683 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -145.59 136.1 24.17 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 0.0 110.035 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.85 127.16 31.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.874 0.869 . . . . 0.0 110.543 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -173.14 160.18 4.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.974 2.51 . . . . 0.0 110.024 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.37 150.74 21.93 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 112.518 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -150.93 12.77 0.69 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.443 1.497 . . . . 0.0 112.652 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 m -168.15 159.78 11.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.724 2.409 . . . . 0.0 110.422 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -158.86 172.08 18.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.524 1.53 . . . . 0.0 111.73 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -152.42 143.13 22.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.008 1.323 . . . . 0.0 111.047 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -162.78 -24.16 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.159 1.384 . . . . 0.0 114.533 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -163.92 144.77 8.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.978 1.711 . . . . 0.0 109.744 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -161.69 176.71 10.66 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.434 1.494 . . . . 0.0 111.389 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -160.43 149.01 16.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.226 1.81 . . . . 0.0 110.31 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -165.01 140.85 5.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.821 1.648 . . . . 0.0 112.024 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -81.15 144.02 31.96 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.237 1.015 . . . . 0.0 112.007 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.6 m -75.06 155.04 37.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.614 1.166 . . . . 0.0 113.415 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -142.03 150.68 41.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.039 1.736 . . . . 0.0 110.229 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.85 35.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.51 14.91 7.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.841 1.656 . . . . 0.0 113.64 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.6 m -63.5 143.07 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.376 1.471 . . . . 0.0 112.145 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . 0.282 1.6 p30 62.21 2.55 0.85 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.347 2.659 . . . . 0.0 116.409 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -65.62 154.17 39.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.914 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.7 -179.13 7.0 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.175 1.39 . . . . 0.0 113.464 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.94 147.92 37.03 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.943 1.697 . . . . 0.0 114.119 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -140.33 155.83 46.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.84 1.656 . . . . 0.0 111.63 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.38 117.09 8.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.313 1.045 . . . . 0.0 113.118 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.17 160.56 9.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.513 2.325 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 125.89 6.51 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 124.588 1.155 . . . . 0.0 112.511 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -85.92 -21.35 2.67 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.314 2.676 . . . . 0.0 112.968 176.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -150.45 176.43 10.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.359 1.864 . . . . 0.0 111.609 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.45 -148.58 16.78 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.766 1.651 . . . . 0.0 112.125 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.75 155.91 57.82 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 124.132 3.221 . . . . 0.0 111.489 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.22 -38.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.72 1.208 . . . . 0.0 112.989 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.65 155.33 35.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.595 1.958 . . . . 0.0 112.966 -176.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.95 160.67 14.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.281 1.832 . . . . 0.0 111.309 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.21 134.75 29.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.497 . . . . 0.0 110.687 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -80.62 -7.17 59.18 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -60.34 146.99 42.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.342 1.457 . . . . 0.0 113.391 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.42 164.48 20.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.141 0.976 . . . . 0.0 111.986 171.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 t80 66.47 16.67 10.48 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.918 1.687 . . . . 0.0 114.029 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -58.24 136.21 57.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.003 1.321 . . . . 0.0 112.25 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.9 167.66 21.02 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.746 1.218 . . . . 0.0 112.158 173.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -151.05 125.27 9.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 109.871 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.72 18.38 55.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.352 1.453 . . . . 0.0 114.712 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.33 155.39 53.04 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.823 1.201 . . . . 0.0 113.973 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.84 46.36 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.117 1.342 . . . . 0.0 114.012 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -146.5 161.97 39.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.587 1.555 . . . . 0.0 111.58 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -153.42 143.61 22.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.986 1.314 . . . . 0.0 111.433 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.17 163.22 33.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.817 1.647 . . . . 0.0 112.264 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -153.33 140.72 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.592 1.557 . . . . 0.0 110.614 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.5 tp -78.4 -39.55 38.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -87.58 99.33 11.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.567 0.699 . . . . 0.0 111.771 -174.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -89.41 -15.5 33.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.627 1.171 . . . . 0.0 113.8 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 m 66.12 179.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.864 2.066 . . . . 0.0 113.772 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -158.84 157.24 31.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.948 1.299 . . . . 0.0 112.842 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -84.89 158.14 20.67 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 111.626 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -161.57 136.38 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.9 1.68 . . . . 0.0 110.857 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.2 p -166.48 168.01 15.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.216 1.406 . . . . 0.0 112.217 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 m -165.37 147.86 7.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.694 1.997 . . . . 0.0 110.181 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -158.5 125.06 4.72 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.675 1.19 . . . . 0.0 110.546 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.4 1.58 30.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.738 1.615 . . . . 0.0 113.669 -169.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.53 170.13 18.1 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.242 1.017 . . . . 0.0 113.115 -171.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.0 m -141.32 168.44 19.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.92 1.288 . . . . 0.0 112.53 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -152.04 156.95 40.96 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.022 2.129 . . . . 0.0 109.099 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.08 153.97 39.6 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -167.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -146.74 148.35 31.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.163 2.985 . . . . 0.0 106.858 169.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.47 -12.98 61.32 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -61.78 -15.33 40.45 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -83.22 -22.49 33.12 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.748 2.019 . . . . 0.0 113.453 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -102.35 -110.46 3.4 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 127.108 2.29 . . . . 0.0 111.092 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.454 1.902 . . . . 0.0 111.817 -176.004 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -161.72 158.71 26.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.813 1.645 . . . . 0.0 111.011 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -165.21 176.34 8.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.444 1.498 . . . . 0.0 111.956 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 152.52 42.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.007 1.723 . . . . 0.0 111.854 -173.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.38 172.14 9.94 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 111.099 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t0 75.74 149.03 0.1 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.054 2.542 . . . . 0.0 114.568 174.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 65.26 -61.56 0.23 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.178 2.991 . . . . 0.0 114.385 173.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -140.22 -16.91 0.93 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.287 1.835 . . . . 0.0 112.977 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -80.92 0.99 32.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.664 -1.272 . . . . 0.0 113.569 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.46 -8.61 59.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.512 1.525 . . . . 0.0 113.123 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.32 11.1 2.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.342 1.457 . . . . 0.0 113.287 -172.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -87.01 -0.33 56.45 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -78.33 138.06 38.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.359 1.064 . . . . 0.0 112.294 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -148.86 154.43 39.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.157 1.783 . . . . 0.0 110.915 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -67.63 142.65 56.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.802 0.841 . . . . 0.0 111.803 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -145.55 156.16 43.52 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.565 1.546 . . . . 0.0 111.377 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.4 t -162.04 174.64 12.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.24 95.12 2.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.445 1.498 . . . . 0.0 109.937 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 t -168.65 160.28 10.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.899 1.68 . . . . 0.0 111.09 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -161.79 125.61 3.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.257 1.823 . . . . 0.0 109.162 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.0 p -168.34 178.95 4.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.961 1.304 . . . . 0.0 112.342 -170.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.47 156.36 36.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.023 1.729 . . . . 0.0 110.252 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.43 171.17 20.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.001 1.32 . . . . 0.0 112.318 -172.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -155.95 166.92 32.05 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.326 1.851 . . . . 0.0 110.748 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.26 138.25 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.439 1.896 . . . . 0.0 109.418 -173.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -144.34 135.62 25.47 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.416 1.487 . . . . 0.0 110.941 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -168.62 -166.23 0.65 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.066 1.746 . . . . 0.0 110.639 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.09 146.51 30.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.368 1.867 . . . . 0.0 111.8 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -104.42 152.58 22.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.526 1.53 . . . . 0.0 113.462 -172.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.26 175.43 9.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.255 1.822 . . . . 0.0 110.661 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -156.6 138.29 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.895 1.678 . . . . 0.0 111.157 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.12 30.48 0.3 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.382 1.073 . . . . 0.0 113.577 -169.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -57.21 132.39 80.83 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 120.94 -1.1 . . . . 0.0 112.228 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.71 -17.07 12.69 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.313 2.675 . . . . 0.0 114.128 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -145.34 148.8 33.79 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.785 1.234 . . . . 0.0 112.531 -176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.11 -177.65 48.91 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.098 1.333 . . . . 0.0 113.094 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.65 155.59 49.52 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.83 3.02 . . . . 0.0 111.778 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -132.11 -18.76 2.59 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.102 1.361 . . . . 0.0 113.514 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 71.07 -24.71 0.17 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.356 2.662 . . . . 0.0 115.592 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.9 t80 67.43 161.88 0.18 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.311 2.644 . . . . 0.0 115.012 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -158.99 142.88 15.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.238 1.815 . . . . 0.0 111.609 172.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.79 160.76 28.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.131 0.973 . . . . 0.0 113.504 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -72.93 143.82 47.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.264 0.625 . . . . 0.0 109.465 167.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.36 134.86 9.5 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.375 -0.828 . . . . 0.0 111.242 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.99 150.79 32.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.144 1.778 . . . . 0.0 110.462 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -165.17 172.21 12.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.614 1.166 . . . . 0.0 112.141 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -65.69 92.8 0.15 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.578 1.151 . . . . 0.0 112.718 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -165.15 145.66 7.2 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.651 1.98 . . . . 0.0 108.643 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.26 114.11 6.51 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.39 -5.64 72.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.118 1.342 . . . . 0.0 114.544 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.69 -3.09 52.85 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.664 1.602 . . . . 0.0 114.436 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.6 p -84.19 -4.98 59.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.8 t30 76.14 134.45 0.06 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.493 2.717 . . . . 0.0 113.226 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -170.41 171.53 6.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.31 2.244 . . . . 0.0 111.838 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -126.46 164.37 21.28 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.205 1.402 . . . . 0.0 112.439 -170.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -166.33 104.16 0.63 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.837 2.055 . . . . 0.0 108.081 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -53.34 135.29 39.15 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.01 1.324 . . . . 0.0 112.733 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -166.97 -171.89 1.91 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.273 1.829 . . . . 0.0 110.293 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -59.81 127.23 30.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.951 1.3 . . . . 0.0 112.591 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -159.22 130.57 6.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.316 1.446 . . . . 0.0 110.321 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 65.9 t80 67.71 -53.79 0.5 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.165 2.586 . . . . 0.0 113.812 -173.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -165.99 145.82 6.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.121 2.168 . . . . 0.0 110.93 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.6 p -150.43 11.3 0.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.942 1.697 . . . . 0.0 112.851 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -88.47 141.49 28.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.681 -1.262 . . . . 0.0 112.987 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.38 128.7 5.37 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.601 1.561 . . . . 0.0 110.725 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -166.6 153.62 9.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.083 1.753 . . . . 0.0 110.137 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.36 -10.97 1.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.946 1.698 . . . . 0.0 113.004 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.7 m -128.46 148.24 50.72 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.643 -1.285 . . . . 0.0 112.747 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -90.36 146.34 24.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.959 1.304 . . . . 0.0 111.351 174.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.45 121.8 20.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.58 1.181 . . . . 0.0 113.565 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.29 1.15 38.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.324 1.85 . . . . 0.0 114.014 -169.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -152.88 168.7 24.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.718 1.607 . . . . 0.0 111.28 -169.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.0 126.98 32.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -138.81 8.49 2.56 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.008 1.323 . . . . 0.0 113.91 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.06 13.47 58.91 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.72 1.629 . . . . 0.0 114.087 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.571 1.948 . . . . 0.0 113.574 178.832 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.57 153.13 18.9 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.462 1.505 . . . . 0.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -167.23 176.79 6.52 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.966 1.706 . . . . 0.0 110.749 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -154.64 137.56 15.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 111.045 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -156.68 7.95 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.53 1.532 . . . . 0.0 113.998 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.62 -5.11 56.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.961 1.704 . . . . 0.0 113.37 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -82.13 3.76 25.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.243 1.817 . . . . 0.0 113.461 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -153.87 139.76 18.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.448 1.499 . . . . 0.0 110.464 -178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.9 p -161.11 154.94 22.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.249 1.42 . . . . 0.0 111.871 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -161.11 151.13 17.36 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.726 1.611 . . . . 0.0 111.217 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -157.17 137.85 13.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.602 1.561 . . . . 0.0 111.141 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -164.98 158.33 16.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.459 1.504 . . . . 0.0 110.934 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -160.79 172.59 16.75 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.669 1.588 . . . . 0.0 112.027 -174.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.36 158.7 43.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.699 1.599 . . . . 0.0 111.166 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -155.67 -171.68 3.86 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.494 1.518 . . . . 0.0 112.273 -172.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -147.26 141.11 25.79 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.29 1.436 . . . . 0.0 110.305 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -162.77 -175.06 4.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.109 1.763 . . . . 0.0 110.51 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -136.97 123.46 20.85 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.52 1.528 . . . . 0.0 110.454 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -133.41 -2.09 3.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.864 1.265 . . . . 0.0 114.174 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -148.92 145.87 27.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.942 2.097 . . . . 0.0 109.39 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t -164.29 164.35 22.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.123 1.369 . . . . 0.0 111.5 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.68 135.66 6.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 110.091 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.21 152.87 22.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.982 1.713 . . . . 0.0 111.051 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -164.13 158.7 19.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.558 1.543 . . . . 0.0 112.353 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -165.25 139.94 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.446 1.899 . . . . 0.0 109.54 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.08 166.61 23.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.589 1.556 . . . . 0.0 112.483 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -158.76 150.36 20.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.685 1.994 . . . . 0.0 110.257 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -159.48 160.15 34.34 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.327 1.451 . . . . 0.0 111.644 -175.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.32 145.82 49.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 0.0 112.846 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -161.77 146.91 13.25 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.079 1.352 . . . . 0.0 111.515 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.45 -6.14 58.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.761 1.224 . . . . 0.0 112.808 172.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.71 1.9 3.91 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.228 2.611 . . . . 0.0 114.981 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -150.39 150.08 28.12 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 126.442 1.897 . . . . 0.0 112.323 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -77.77 -25.28 7.92 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.191 2.594 . . . . 0.0 113.0 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -168.45 167.06 12.01 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.711 2.004 . . . . 0.0 111.441 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.32 158.93 27.85 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.233 1.397 . . . . 0.0 112.735 172.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.08 160.37 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.232 3.288 . . . . 0.0 112.044 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -158.32 146.82 18.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.667 1.587 . . . . 0.0 111.751 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.65 8.84 1.97 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.405 1.482 . . . . 0.0 114.091 -172.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -69.77 127.68 33.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.83 1.252 . . . . 0.0 112.081 -171.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -82.53 151.09 26.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.378 1.071 . . . . 0.0 113.406 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -153.01 6.07 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.146 1.378 . . . . 0.0 114.455 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.4 p -173.76 -178.98 1.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.883 2.073 . . . . 0.0 110.324 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.23 165.32 37.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.882 1.273 . . . . 0.0 112.031 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -154.93 149.97 26.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.601 1.961 . . . . 0.0 109.679 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -141.81 157.12 45.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.878 1.271 . . . . 0.0 111.693 -169.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.55 163.42 11.17 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.797 1.239 . . . . 0.0 114.308 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -69.55 160.64 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.036 0.934 . . . . 0.0 111.994 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.1 -166.29 14.78 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.552 1.549 . . . . 0.0 112.623 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.47 124.18 6.77 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.967 0.794 . . . . 0.0 111.965 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.15 -11.21 61.56 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.649 1.119 . . . . 0.0 114.689 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 m -70.6 134.25 47.44 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.38 1.09 . . . . 0.0 112.364 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -64.1 140.58 58.88 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.967 0.907 . . . . 0.0 112.329 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -114.65 130.6 56.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 0.0 111.181 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -164.06 164.74 22.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.76 1.624 . . . . 0.0 111.377 -172.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.86 34.26 0.6 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.991 1.316 . . . . 0.0 111.417 -176.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.33 124.36 21.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.337 1.055 . . . . 0.0 111.752 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -167.71 173.71 8.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.963 1.705 . . . . 0.0 110.672 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.7 p -163.17 154.99 17.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.559 1.543 . . . . 0.0 111.974 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -165.62 158.99 16.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.623 1.569 . . . . 0.0 112.224 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -161.71 145.2 12.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.809 1.644 . . . . 0.0 111.675 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -162.48 146.49 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.151 1.781 . . . . 0.0 111.393 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -167.29 161.23 14.17 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.131 1.772 . . . . 0.0 110.128 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 m -164.01 154.02 14.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.882 1.673 . . . . 0.0 111.32 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -165.14 164.98 20.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.178 1.791 . . . . 0.0 111.662 -175.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.73 118.9 3.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.447 1.499 . . . . 0.0 109.264 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.45 158.58 13.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.142 1.777 . . . . 0.0 110.006 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.9 p -74.64 162.77 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.822 1.249 . . . . 0.0 114.001 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -159.02 157.21 30.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.998 1.719 . . . . 0.0 111.77 -169.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.82 151.88 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 112.35 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.83 152.55 8.01 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.506 1.922 . . . . 0.0 110.657 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.83 86.2 4.76 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -119.64 0.09 10.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.479 1.511 . . . . 0.0 114.363 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.71 28.42 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.28 1.419 . . . . 0.0 113.875 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.25 1.82 . . . . 0.0 112.644 -173.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 111.144 0.053 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.53 167.29 21.59 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.984 1.714 . . . . 0.0 111.073 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -136.86 151.15 48.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.062 1.345 . . . . 0.0 111.624 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -158.79 167.58 29.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.758 1.623 . . . . 0.0 111.647 -173.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 tp -150.66 128.24 11.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.758 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -165.11 163.19 20.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.028 1.731 . . . . 0.0 110.92 -172.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -154.59 145.79 22.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.897 1.279 . . . . 0.0 110.474 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.83 38.98 0.34 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.896 1.679 . . . . 0.0 113.032 -174.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 159.05 30.15 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.577 1.551 . . . . 0.0 112.84 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -153.43 152.94 31.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.249 1.42 . . . . 0.0 112.299 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -163.55 156.55 18.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.494 1.918 . . . . 0.0 110.726 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -160.71 160.28 31.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.603 1.161 . . . . 0.0 112.15 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -75.23 162.17 28.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.212 1.405 . . . . 0.0 112.973 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -153.43 149.72 28.06 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.41 1.484 . . . . 0.0 111.399 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -161.97 167.65 24.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.203 1.801 . . . . 0.0 111.538 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -141.27 152.28 44.38 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.64 1.576 . . . . 0.0 110.542 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -64.89 136.81 57.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.3 1.04 . . . . 0.0 113.027 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -75.8 152.32 37.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.251 1.02 . . . . 0.0 112.581 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -163.62 161.54 23.81 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.619 1.568 . . . . 0.0 110.994 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -162.45 144.46 10.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.709 1.604 . . . . 0.0 110.432 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 m -76.41 54.72 0.94 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.727 1.611 . . . . 0.0 113.059 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.28 146.32 55.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.407 1.483 . . . . 0.0 112.437 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.39 157.04 34.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.758 1.623 . . . . 0.0 111.558 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.01 150.93 33.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.947 1.299 . . . . 0.0 113.048 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.29 156.36 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.697 1.999 . . . . 0.0 110.461 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.04 158.27 34.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 111.372 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.4 m -96.02 140.87 30.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.968 1.307 . . . . 0.0 113.219 -172.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.59 150.24 26.99 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.821 1.248 . . . . 0.0 111.762 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -156.59 143.06 18.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.158 1.383 . . . . 0.0 111.766 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 t -164.15 169.31 17.91 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.812 1.645 . . . . 0.0 111.169 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -159.26 147.99 18.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.903 1.681 . . . . 0.0 111.721 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.42 153.23 26.87 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.743 1.617 . . . . 0.0 111.325 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.95 119.99 42.71 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.959 1.304 . . . . 0.0 112.488 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -85.0 -30.65 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.155 2.57 . . . . 0.0 112.639 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -171.07 -27.14 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.607 1.963 . . . . 0.0 113.209 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.58 177.36 20.72 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.426 1.488 . . . . 0.0 115.032 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.65 176.76 9.52 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 124.507 3.471 . . . . 0.0 112.246 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.53 142.84 25.19 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.778 1.631 . . . . 0.0 110.832 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -70.66 153.39 42.88 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.565 1.146 . . . . 0.0 113.7 -170.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.7 150.64 36.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.509 1.124 . . . . 0.0 112.847 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -97.71 20.06 12.58 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.297 1.439 . . . . 0.0 112.701 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.7 173.49 4.25 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.02 2.128 . . . . 0.0 113.021 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t 70.59 -160.54 0.15 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.143 1.777 . . . . 0.0 112.196 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.18 150.14 31.19 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.644 1.578 . . . . 0.0 111.822 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.28 118.9 13.95 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.679 1.592 . . . . 0.0 108.609 -175.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -139.84 150.22 44.4 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.186 1.395 . . . . 0.0 112.121 -167.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -72.26 169.7 15.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.076 1.35 . . . . 0.0 112.462 175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.63 139.16 58.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.871 0.868 . . . . 0.0 110.922 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.48 169.86 43.76 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.432 1.015 . . . . 0.0 113.983 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.79 8.13 74.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.392 1.472 . . . . 0.0 114.904 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.17 -132.03 25.43 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.631 1.216 . . . . 0.0 111.425 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -72.21 -9.49 58.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.2 t30 60.65 23.48 13.28 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.26 1.824 . . . . 0.0 113.571 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -76.59 168.41 20.12 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.339 1.456 . . . . 0.0 114.195 -174.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -156.16 165.8 35.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.506 1.923 . . . . 0.0 110.428 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 tp -131.27 76.16 1.7 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.074 1.35 . . . . 0.0 110.391 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.08 140.0 39.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -90.38 126.28 35.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.528 0.731 . . . . 0.0 109.668 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -152.78 10.38 0.47 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -169.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -154.32 124.79 6.98 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.14 -0.975 . . . . 0.0 112.649 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -164.63 157.19 16.59 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.216 2.206 . . . . 0.0 110.787 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.25 -43.76 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.764 1.226 . . . . 0.0 112.654 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 -169.13 1.2 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.521 1.528 . . . . 0.0 110.993 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -155.91 152.82 28.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.33 1.852 . . . . 0.0 111.526 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -75.3 159.14 31.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.64 1.176 . . . . 0.0 113.269 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.21 155.16 40.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.697 1.599 . . . . 0.0 112.71 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.87 152.38 42.65 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -159.09 -178.89 7.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.377 1.471 . . . . 0.0 111.354 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -155.88 134.06 11.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.071 1.748 . . . . 0.0 111.264 -173.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -68.2 145.7 54.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.996 1.318 . . . . 0.0 112.781 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -84.99 18.55 2.44 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.302 1.441 . . . . 0.0 112.499 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.55 121.83 21.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.466 1.506 . . . . 0.0 112.387 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.24 59.27 1.0 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -86.59 -35.54 19.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.521 1.528 . . . . 0.0 113.39 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -106.47 -2.55 37.89 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.158 1.361 . . . . 0.0 115.062 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.909 1.684 . . . . 0.0 113.142 -176.324 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.187 0.069 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -161.12 142.42 11.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.537 1.535 . . . . 0.0 110.009 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -160.13 161.84 33.85 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.1 1.36 . . . . 0.0 112.042 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.03 167.98 23.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.053 1.741 . . . . 0.0 111.28 -174.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.9 tp -151.13 121.54 7.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.272 1.429 . . . . 0.0 109.897 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.55 131.07 44.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 111.591 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -168.18 156.98 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.302 1.441 . . . . 0.0 111.131 -170.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -163.04 156.38 19.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.803 1.641 . . . . 0.0 110.945 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -165.5 178.72 6.56 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.576 1.551 . . . . 0.0 111.234 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -158.0 152.39 24.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.683 1.993 . . . . 0.0 111.558 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -163.53 163.64 24.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.665 1.586 . . . . 0.0 112.329 -171.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 m -150.19 156.75 42.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.592 1.557 . . . . 0.0 111.235 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.08 148.12 48.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.356 1.462 . . . . 0.0 110.805 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -135.5 13.74 3.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.617 1.167 . . . . 0.0 113.191 -169.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -70.37 106.86 3.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.033 0.933 . . . . 0.0 110.652 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -166.85 157.2 11.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.292 1.837 . . . . 0.0 109.484 -170.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -148.65 159.64 43.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.601 1.16 . . . . 0.0 111.563 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -162.06 151.2 15.67 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.348 1.859 . . . . 0.0 109.782 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -70.11 124.78 24.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 112.67 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.39 119.19 3.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.716 1.606 . . . . 0.0 108.95 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 p -170.91 168.17 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.187 1.395 . . . . 0.0 111.894 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.97 146.63 35.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.989 0.916 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 150.39 48.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.198 0.999 . . . . 0.0 113.137 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -159.22 162.02 36.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.345 1.858 . . . . 0.0 110.77 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -163.77 140.59 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.911 1.685 . . . . 0.0 110.672 -173.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.19 135.8 36.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.672 1.189 . . . . 0.0 111.881 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -145.72 151.44 38.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.027 1.331 . . . . 0.0 111.879 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.49 148.77 19.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.915 1.686 . . . . 0.0 110.934 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -158.06 139.52 13.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.579 1.551 . . . . 0.0 111.299 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.0 168.65 17.24 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.459 1.504 . . . . 0.0 111.247 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.8 143.41 14.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.306 1.842 . . . . 0.0 111.142 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.55 148.27 19.48 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.272 1.429 . . . . 0.0 111.683 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.57 147.52 98.71 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 124.148 0.979 . . . . 0.0 112.983 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.54 -19.58 14.63 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.412 2.741 . . . . 0.0 113.762 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -147.59 147.76 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.986 1.314 . . . . 0.0 112.173 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.97 178.4 48.28 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.843 1.211 . . . . 0.0 113.11 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.75 144.95 50.17 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.774 2.983 . . . . 0.0 110.933 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -162.43 144.44 10.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.268 1.427 . . . . 0.0 111.242 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -123.95 126.96 47.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.227 1.411 . . . . 0.0 110.659 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -155.29 142.16 19.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 109.809 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 154.21 16.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.575 1.55 . . . . 0.0 112.559 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -70.27 162.79 27.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.462 1.105 . . . . 0.0 112.321 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -152.31 172.2 16.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.106 0.963 . . . . 0.0 112.442 -174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.72 157.9 14.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.723 2.009 . . . . 0.0 109.775 -172.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -147.91 109.84 4.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.568 1.147 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -164.75 149.35 9.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.123 1.769 . . . . 0.0 110.675 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -151.75 177.59 10.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.033 1.733 . . . . 0.0 111.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -79.63 70.71 6.17 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.561 1.144 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.74 -0.25 69.35 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.323 1.44 . . . . 0.0 114.424 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.03 -152.06 21.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.602 1.572 . . . . 0.0 113.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.4 -137.7 14.51 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.682 1.134 . . . . 0.0 112.066 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -159.65 164.05 34.39 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.149 1.379 . . . . 0.0 111.463 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -158.44 146.69 18.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.727 1.611 . . . . 0.0 111.289 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -159.28 170.88 20.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.884 1.674 . . . . 0.0 112.517 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -137.58 158.49 44.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.278 1.431 . . . . 0.0 111.788 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.9 tp -84.13 -1.73 55.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.213 1.405 . . . . 0.0 113.604 -175.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.43 148.96 26.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.74 1.216 . . . . 0.0 113.468 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -132.5 -163.82 1.39 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.593 1.557 . . . . 0.0 110.987 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -161.23 176.92 10.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.938 1.695 . . . . 0.0 111.782 -176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.76 176.55 12.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.868 1.667 . . . . 0.0 112.65 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.32 179.4 6.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.81 1.644 . . . . 0.0 112.287 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -155.31 146.98 23.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.116 1.766 . . . . 0.0 111.096 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.1 m -76.29 108.62 9.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.164 0.986 . . . . 0.0 111.444 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.1 p -84.03 170.36 13.99 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.072 1.349 . . . . 0.0 113.747 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -150.75 145.05 25.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.699 1.6 . . . . 0.0 111.068 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.74 -7.85 58.16 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.86 67.75 1.51 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.853 1.261 . . . . 0.0 111.24 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.2 p -157.68 -99.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.081 1.352 . . . . 0.0 111.164 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.9 t70 65.88 -56.68 0.35 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 129.784 3.234 . . . . 0.0 114.732 173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.78 -8.6 1.63 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.952 2.101 . . . . 0.0 112.671 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -84.92 -170.48 3.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.091 1.757 . . . . 0.0 110.888 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -56.12 143.6 32.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.736 1.214 . . . . 0.0 112.804 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -75.29 29.26 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -74.6 -11.25 60.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.204 1.802 . . . . 0.0 114.718 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.02 4.44 55.44 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.767 1.651 . . . . 0.0 115.12 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.333 1.853 . . . . 0.0 111.959 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.427 -0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 68.78 172.13 0.29 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.884 2.074 . . . . 0.0 112.785 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -160.52 161.56 32.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.226 1.41 . . . . 0.0 111.394 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.55 169.68 19.86 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.623 1.969 . . . . 0.0 111.25 -172.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.98 160.55 43.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.675 1.59 . . . . 0.0 111.91 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -162.36 166.74 24.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.633 1.573 . . . . 0.0 112.353 -172.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -162.72 176.58 10.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.243 1.817 . . . . 0.0 110.523 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -77.34 44.83 0.44 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.753 1.621 . . . . 0.0 113.087 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -72.19 152.22 42.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.762 -1.211 . . . . 0.0 112.63 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -157.21 160.19 38.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.702 1.601 . . . . 0.0 110.909 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -151.47 1.61 0.39 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.316 2.246 . . . . 0.0 113.332 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.2 m -81.88 16.74 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.954 1.302 . . . . 0.0 114.061 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -61.83 152.73 30.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.604 1.562 . . . . 0.0 113.21 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -157.04 158.98 37.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.839 1.656 . . . . 0.0 111.173 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.05 125.02 11.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.231 1.412 . . . . 0.0 110.694 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -89.18 -14.91 35.0 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.839 1.255 . . . . 0.0 112.849 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -73.19 137.38 45.02 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.567 -1.333 . . . . 0.0 112.766 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -160.16 142.61 13.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.886 1.674 . . . . 0.0 109.575 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -162.54 154.52 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.93 1.692 . . . . 0.0 111.19 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -161.67 149.5 14.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.009 1.724 . . . . 0.0 109.604 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -67.05 147.7 52.85 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.43 -0.793 . . . . 0.0 112.688 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -158.81 149.14 19.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.609 1.564 . . . . 0.0 110.426 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.64 -175.65 5.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.942 1.697 . . . . 0.0 111.53 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.06 150.54 48.3 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.959 1.304 . . . . 0.0 113.323 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.05 141.29 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.61 1.964 . . . . 0.0 108.766 -175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.27 165.89 33.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.341 1.456 . . . . 0.0 112.407 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.6 p -159.12 168.03 27.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.472 1.509 . . . . 0.0 112.087 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -156.49 150.53 25.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.602 1.561 . . . . 0.0 111.402 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -157.59 140.28 14.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.566 1.547 . . . . 0.0 111.387 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.3 p -166.55 171.29 11.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 111.729 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.56 122.04 8.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.829 1.251 . . . . 0.0 111.367 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.36 8.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.306 2.242 . . . . 0.0 110.627 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -145.58 143.63 20.47 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.807 1.243 . . . . 0.0 112.431 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.88 -25.67 4.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.261 2.641 . . . . 0.0 112.93 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -171.6 173.86 4.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.712 2.005 . . . . 0.0 111.602 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.91 150.88 26.29 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.661 1.6 . . . . 0.0 113.494 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.83 168.42 22.31 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.083 3.189 . . . . 0.0 112.971 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -161.16 142.05 11.39 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.903 2.081 . . . . 0.0 109.982 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -163.07 154.16 17.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.863 1.265 . . . . 0.0 113.159 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -79.98 159.98 26.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.954 1.302 . . . . 0.0 112.28 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -123.88 171.43 9.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.736 1.615 . . . . 0.0 111.943 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.62 154.67 24.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.355 1.062 . . . . 0.0 112.917 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -162.17 -178.43 6.36 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.227 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -157.22 169.51 24.6 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.959 1.703 . . . . 0.0 111.122 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -150.09 109.13 3.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.616 1.166 . . . . 0.0 110.328 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -152.21 174.56 13.61 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.862 2.065 . . . . 0.0 110.863 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 69.77 21.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.298 1.839 . . . . 0.0 114.492 170.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -74.34 153.33 39.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.278 1.031 . . . . 0.0 111.115 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.88 -135.01 13.95 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.063 0.84 . . . . 0.0 112.564 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.29 173.88 35.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.188 1.375 . . . . 0.0 113.696 -177.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.69 -173.49 49.52 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.005 1.288 . . . . 0.0 114.03 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.6 p -82.47 -8.46 59.62 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.975 1.31 . . . . 0.0 114.336 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.8 t30 65.76 12.1 8.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.864 2.065 . . . . 0.0 114.156 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.31 145.44 54.21 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.794 -1.191 . . . . 0.0 112.512 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -77.5 164.11 25.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.479 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.9 tp -127.4 18.13 6.98 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.446 1.498 . . . . 0.0 112.396 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -65.04 144.68 57.11 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.407 1.083 . . . . 0.0 112.021 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.7 p -164.83 169.25 16.87 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 0.0 112.066 -174.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -65.05 146.24 55.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.58 1.152 . . . . 0.0 113.382 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -156.8 158.21 36.4 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 0.0 111.459 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -153.3 158.65 41.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 112.712 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.22 126.52 5.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.335 2.254 . . . . 0.0 108.585 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.5 p -79.43 154.02 29.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.29 164.47 26.23 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.16 0.984 . . . . 0.0 112.573 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -149.02 158.33 44.1 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.29 1.436 . . . . 0.0 111.485 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.13 42.13 0.63 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.499 1.92 . . . . 0.0 112.892 -171.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -156.14 126.18 6.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.839 1.655 . . . . 0.0 109.996 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 t -172.28 139.81 1.07 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.906 1.682 . . . . 0.0 110.666 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -102.9 125.08 49.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.675 1.59 . . . . 0.0 111.0 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.62 117.92 23.49 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.857 0.863 . . . . 0.0 110.685 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -162.32 136.95 6.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.189 1.396 . . . . 0.0 110.394 -174.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.81 26.8 2.27 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.782 1.633 . . . . 0.0 113.295 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.38 86.99 3.15 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -104.87 -5.0 21.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.404 1.481 . . . . 0.0 113.792 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.89 4.64 85.62 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.034 1.778 . . . . 0.0 115.692 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.871 1.668 . . . . 0.0 112.507 -178.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -82.9 137.23 34.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.786 1.234 . . . . 0.0 110.759 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -147.2 144.02 28.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.303 1.441 . . . . 0.0 111.107 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.28 149.47 33.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.659 1.584 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -156.78 128.75 7.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.551 1.54 . . . . 0.0 109.99 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -164.67 145.67 7.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.994 1.717 . . . . 0.0 110.774 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -162.69 163.42 26.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.357 1.463 . . . . 0.0 110.837 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -64.04 120.81 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.607 1.163 . . . . 0.0 110.455 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -164.25 139.86 6.06 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.281 1.432 . . . . 0.0 111.359 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -163.16 132.76 4.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.191 1.796 . . . . 0.0 110.274 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -164.45 147.04 8.86 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.337 1.455 . . . . 0.0 111.636 -174.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -162.76 143.17 9.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.504 1.521 . . . . 0.0 110.665 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -74.89 142.31 44.08 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.759 0.824 . . . . 0.0 112.326 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -160.56 126.19 3.94 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 110.411 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.16 131.26 42.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.676 0.79 . . . . 0.0 110.531 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -148.36 146.71 28.63 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.287 1.035 . . . . 0.0 111.571 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -159.19 -174.6 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.614 1.965 . . . . 0.0 109.962 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.63 151.31 28.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.918 1.287 . . . . 0.0 112.637 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.4 t -168.03 -178.21 3.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.796 2.038 . . . . 0.0 110.26 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -155.47 126.55 7.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.539 1.535 . . . . 0.0 110.007 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -167.44 178.28 5.55 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.864 1.666 . . . . 0.0 111.0 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -158.44 134.9 9.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.378 1.871 . . . . 0.0 109.652 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.49 165.02 35.59 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.17 1.388 . . . . 0.0 112.43 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -159.82 168.98 24.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.889 2.076 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.12 110.43 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.751 1.62 . . . . 0.0 109.448 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -169.86 145.93 3.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.286 2.235 . . . . 0.0 110.133 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.9 p -163.86 -55.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.131 0.972 . . . . 0.0 112.937 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -164.44 143.81 7.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.868 1.667 . . . . 0.0 111.534 -176.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.7 137.06 7.51 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.976 1.711 . . . . 0.0 110.937 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -167.45 154.36 8.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 111.122 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -158.43 135.56 9.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.639 1.576 . . . . 0.0 110.928 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.78 167.29 17.11 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.89 97.86 7.04 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.968 1.307 . . . . 0.0 110.92 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -84.21 -21.13 3.88 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.476 2.784 . . . . 0.0 113.48 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -168.39 178.44 4.87 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 112.125 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.76 172.09 26.63 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.944 1.735 . . . . 0.0 113.718 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.03 142.69 99.65 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 124.276 3.317 . . . . 0.0 112.892 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -145.34 6.04 1.1 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.806 1.242 . . . . 0.0 113.179 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.57 178.47 7.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.886 1.674 . . . . 0.0 113.887 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -147.45 146.68 29.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.968 1.707 . . . . 0.0 110.005 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -158.53 152.56 23.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.772 1.629 . . . . 0.0 112.006 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -158.4 150.53 21.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.391 1.476 . . . . 0.0 111.5 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -161.1 170.88 19.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.455 1.502 . . . . 0.0 111.97 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -71.71 146.77 47.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.265 1.026 . . . . 0.0 112.079 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -137.9 -1.57 1.99 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.58 114.39 12.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 110.055 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -82.59 174.95 10.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.05 1.34 . . . . 0.0 112.619 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -73.44 157.06 37.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.771 0.828 . . . . 0.0 111.758 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.38 142.05 5.74 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.542 1.544 . . . . 0.0 113.0 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.64 141.73 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.641 1.115 . . . . 0.0 113.094 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.29 74.34 2.46 Favored Glycine 0 N--CA 1.47 0.909 0 C-N-CA 124.968 1.27 . . . . 0.0 111.653 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -159.5 -53.63 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.361 1.065 . . . . 0.0 112.481 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.8 t30 58.31 27.34 15.14 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.319 1.448 . . . . 0.0 113.68 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.09 -11.75 58.03 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -172.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.38 104.37 12.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.113 1.365 . . . . 0.0 109.733 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -156.38 8.5 0.22 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.943 1.297 . . . . 0.0 114.384 -170.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.94 159.99 32.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.499 1.12 . . . . 0.0 113.799 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 m -114.35 10.41 17.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.734 1.214 . . . . 0.0 113.523 -172.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -63.61 118.71 8.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.907 1.283 . . . . 0.0 112.426 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -164.0 153.53 14.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.829 1.652 . . . . 0.0 110.748 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.68 -21.38 64.39 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.69 4.84 10.04 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.405 1.482 . . . . 0.0 113.812 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -87.71 -2.16 58.43 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.642 -1.286 . . . . 0.0 114.173 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 m -67.85 142.44 56.13 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.916 1.286 . . . . 0.0 113.047 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.01 149.54 35.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.028 1.331 . . . . 0.0 113.006 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -153.74 22.89 0.52 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.659 1.183 . . . . 0.0 112.322 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.42 154.76 42.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.253 1.821 . . . . 0.0 110.558 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -163.83 -163.85 0.84 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.444 1.498 . . . . 0.0 111.255 -174.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 74.13 18.45 3.15 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.719 2.408 . . . . 0.0 114.291 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.48 147.82 41.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.947 1.699 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.15 151.89 28.03 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.721 1.209 . . . . 0.0 111.734 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -154.3 120.34 5.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.72 1.208 . . . . 0.0 111.715 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -78.28 63.88 3.28 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -90.31 -7.42 53.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.284 1.434 . . . . 0.0 114.245 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.2 17.66 66.48 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.929 1.252 . . . . 0.0 114.3 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.367 1.867 . . . . 0.0 112.567 -173.486 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -81.89 158.35 24.01 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.114 0.966 . . . . 0.0 111.607 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.4 p -160.6 166.84 28.25 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.097 1.359 . . . . 0.0 112.05 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.31 164.63 36.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.018 1.727 . . . . 0.0 111.334 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.32 170.16 23.09 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.911 1.685 . . . . 0.0 112.145 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -156.25 146.8 21.73 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.775 1.63 . . . . 0.0 111.011 -176.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.82 158.88 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.195 1.398 . . . . 0.0 111.439 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -112.65 141.01 46.94 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.226 1.41 . . . . 0.0 110.51 173.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 76.0 p -161.09 163.16 31.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.55 1.54 . . . . 0.0 111.868 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -161.2 155.09 22.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.549 1.54 . . . . 0.0 112.192 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.17 127.45 32.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.828 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -164.68 170.79 15.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.505 1.522 . . . . 0.0 111.495 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.4 151.38 44.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.66 1.584 . . . . 0.0 111.797 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -71.1 152.26 43.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.696 1.198 . . . . 0.0 112.443 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -101.31 -1.54 33.3 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.166 1.387 . . . . 0.0 114.198 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.78 128.69 37.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.775 1.23 . . . . 0.0 111.192 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 t -165.26 162.83 20.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.707 1.603 . . . . 0.0 110.74 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -147.25 139.04 24.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.913 1.685 . . . . 0.0 110.216 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.3 t -150.03 -8.92 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.407 1.083 . . . . 0.0 113.901 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.87 -3.85 55.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.012 1.725 . . . . 0.0 113.876 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -69.73 136.76 51.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.109 1.364 . . . . 0.0 113.363 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -144.59 150.59 37.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.028 1.731 . . . . 0.0 110.127 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.39 156.36 32.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.316 1.446 . . . . 0.0 111.769 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.71 168.84 22.59 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.222 1.809 . . . . 0.0 110.907 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.95 150.76 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 111.013 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -134.4 8.71 3.68 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.24 1.416 . . . . 0.0 114.125 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 p -89.21 151.69 22.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.211 1.404 . . . . 0.0 113.16 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.07 160.37 24.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.889 1.676 . . . . 0.0 112.138 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -160.32 142.2 12.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.926 1.69 . . . . 0.0 111.22 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 m -146.2 6.29 0.99 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -157.65 123.06 4.54 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 111.825 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.95 -6.52 57.2 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.04 126.45 92.67 Favored Pre-proline 0 CA--C 1.552 1.024 0 O-C-N 121.129 -0.982 . . . . 0.0 111.336 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.65 -38.79 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.694 2.263 . . . . 0.0 112.163 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -174.99 -22.62 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.834 2.053 . . . . 0.0 113.987 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.75 87.21 1.81 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.326 1.441 . . . . 0.0 111.203 -176.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 -28.32 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.467 2.778 . . . . 0.0 114.284 -171.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -163.51 151.15 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.106 1.362 . . . . 0.0 111.867 -170.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -126.88 134.89 50.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.645 1.578 . . . . 0.0 111.382 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -69.22 146.23 52.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.401 1.08 . . . . 0.0 112.725 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -92.61 170.53 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.021 1.328 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.71 8.9 2.39 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m 64.09 -155.58 0.31 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.384 1.474 . . . . 0.0 113.21 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -158.5 167.55 29.32 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.239 1.815 . . . . 0.0 110.932 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -137.73 155.32 49.2 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.03 1.332 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -79.04 85.46 4.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.545 1.138 . . . . 0.0 111.633 -175.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.87 -13.4 24.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -71.85 -8.45 54.41 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.253 1.421 . . . . 0.0 113.911 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.02 37.26 3.19 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.799 1.19 . . . . 0.0 113.576 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.25 -156.73 20.42 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.651 1.12 . . . . 0.0 113.564 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.68 167.79 46.84 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.601 1.096 . . . . 0.0 113.926 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.7 m -148.19 157.02 43.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.007 1.723 . . . . 0.0 110.885 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.02 151.48 19.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.435 1.094 . . . . 0.0 112.873 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -146.21 140.62 26.71 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.605 1.962 . . . . 0.0 110.235 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.98 139.19 28.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.916 1.286 . . . . 0.0 111.405 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.4 tp -91.29 -19.52 22.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.707 1.203 . . . . 0.0 113.081 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 tttp 74.22 146.61 0.09 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 128.264 2.626 . . . . 0.0 112.847 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -68.66 -14.63 63.14 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -132.39 131.34 41.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.249 1.82 . . . . 0.0 108.532 170.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -155.63 137.53 14.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.583 1.153 . . . . 0.0 110.566 -169.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -140.03 141.89 36.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.055 1.342 . . . . 0.0 111.859 -172.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -73.76 145.08 45.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.608 1.163 . . . . 0.0 112.781 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.1 p -126.68 5.91 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.27 1.428 . . . . 0.0 113.655 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.2 m -70.75 147.99 48.41 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.08 1.352 . . . . 0.0 113.389 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.67 114.3 15.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.161 0.984 . . . . 0.0 111.327 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.8 -15.66 63.73 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.531 1.132 . . . . 0.0 113.208 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.29 10.43 27.35 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.881 1.672 . . . . 0.0 112.481 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -141.05 177.98 7.69 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.538 1.535 . . . . 0.0 112.185 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -155.74 132.83 10.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.272 1.829 . . . . 0.0 110.128 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -85.29 -10.28 56.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.791 1.236 . . . . 0.0 112.827 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -110.07 164.54 12.53 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.399 1.88 . . . . 0.0 111.532 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.51 13.67 0.74 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.592 1.557 . . . . 0.0 114.436 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.93 36.25 0.22 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -74.59 -16.61 60.79 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.513 -1.367 . . . . 0.0 114.632 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.57 10.15 86.44 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.744 1.164 . . . . 0.0 114.324 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.562 1.945 . . . . 0.0 113.486 -178.248 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.64 151.16 37.82 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.995 0.918 . . . . 0.0 111.5 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -160.62 156.59 25.84 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.118 1.367 . . . . 0.0 111.283 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -149.37 159.85 43.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.473 1.909 . . . . 0.0 110.795 -173.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.66 132.06 15.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.318 1.447 . . . . 0.0 110.284 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.92 156.02 19.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.288 1.835 . . . . 0.0 110.751 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.8 132.57 8.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.954 1.302 . . . . 0.0 110.229 -176.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.68 123.89 29.7 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 109.612 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 m -166.74 172.9 10.06 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.317 1.847 . . . . 0.0 111.153 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -146.24 144.72 30.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.591 1.556 . . . . 0.0 111.325 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -161.04 164.41 30.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.166 1.786 . . . . 0.0 111.132 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -154.71 161.67 41.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.705 1.202 . . . . 0.0 112.506 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.88 16.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.308 1.843 . . . . 0.0 112.517 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -151.43 158.13 43.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.626 . . . . 0.0 111.646 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -162.55 159.29 24.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.242 1.417 . . . . 0.0 111.653 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.37 137.48 34.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.956 1.702 . . . . 0.0 109.726 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -80.32 -10.75 59.76 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.65 25.84 15.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.197 1.799 . . . . 0.0 113.246 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -61.81 140.45 58.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.445 1.498 . . . . 0.0 113.863 -173.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -153.84 51.09 0.68 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.288 1.435 . . . . 0.0 109.808 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.77 4.86 15.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.09 1.356 . . . . 0.0 114.462 -170.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.65 18.09 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.42 1.888 . . . . 0.0 109.523 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.82 1.36 54.13 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.202 1.401 . . . . 0.0 114.247 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.15 58.95 0.1 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.37 2.668 . . . . 0.0 111.342 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.74 135.84 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.165 1.786 . . . . 0.0 110.093 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -155.53 172.82 17.62 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.725 1.61 . . . . 0.0 112.498 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -122.9 19.87 10.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.121 1.368 . . . . 0.0 113.077 -175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -116.05 -31.29 5.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.425 1.49 . . . . 0.0 113.065 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.286 2.7 p30 48.05 -98.43 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.163 2.585 . . . . 0.0 115.043 171.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -132.23 19.23 4.44 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.185 1.794 . . . . 0.0 112.84 -174.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.01 134.46 57.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.615 1.166 . . . . 0.0 112.834 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 170.84 19.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.779 1.632 . . . . 0.0 111.942 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -52.85 117.1 10.32 Favored Pre-proline 0 CA--C 1.557 1.231 0 C-N-CA 125.419 1.488 . . . . 0.0 112.581 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -66.31 -27.18 48.07 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.144 2.562 . . . . 0.0 114.436 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -90.14 -6.63 55.17 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.38 -159.32 53.58 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.505 1.05 . . . . 0.0 114.431 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.59 171.89 17.36 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.656 3.571 . . . . 0.0 111.877 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -152.92 144.01 23.07 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.128 1.371 . . . . 0.0 111.575 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -162.58 159.09 24.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.106 1.762 . . . . 0.0 111.675 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -76.81 -31.57 57.04 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.474 0.71 . . . . 0.0 112.439 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -170.43 159.39 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.329 2.251 . . . . 0.0 111.584 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -157.72 132.16 8.37 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 110.942 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -165.11 170.72 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.385 1.474 . . . . 0.0 111.178 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -163.64 146.67 9.98 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.301 1.84 . . . . 0.0 110.219 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.51 148.27 51.7 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.235 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -136.44 155.66 49.69 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.297 1.439 . . . . 0.0 112.028 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.99 164.1 24.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.73 1.212 . . . . 0.0 113.714 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -150.21 35.94 0.66 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.546 1.938 . . . . 0.0 110.426 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.48 53.27 1.72 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 -166.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.44 -171.62 35.23 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.589 1.566 . . . . 0.0 111.817 -167.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.85 169.07 25.29 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.238 1.399 . . . . 0.0 114.389 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 170.1 4.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.807 2.043 . . . . 0.0 110.782 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -155.25 112.64 3.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.155 0.982 . . . . 0.0 111.487 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -168.47 176.27 5.86 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.918 2.087 . . . . 0.0 111.948 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.91 143.78 55.94 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 0.0 111.373 171.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.71 -22.43 66.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.476 1.111 . . . . 0.0 113.418 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -146.03 140.79 27.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.883 1.673 . . . . 0.0 110.271 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 p -160.55 125.25 3.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.428 1.091 . . . . 0.0 110.731 -172.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.4 p -170.96 168.39 7.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.884 1.274 . . . . 0.0 111.88 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -85.67 -6.78 59.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.256 1.022 . . . . 0.0 113.493 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -161.79 141.62 10.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.643 1.977 . . . . 0.0 110.869 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.96 153.57 41.75 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 t -162.79 157.77 21.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.116 1.767 . . . . 0.0 110.743 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 m -167.49 163.76 14.85 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.201 2.2 . . . . 0.0 110.725 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -155.94 130.77 9.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.28 1.432 . . . . 0.0 110.863 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.59 154.89 44.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.554 1.942 . . . . 0.0 112.321 -173.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -11.75 55.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.76 1.224 . . . . 0.0 113.499 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.9 m -168.41 137.31 2.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.228 2.211 . . . . 0.0 110.048 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.34 -26.62 14.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.755 1.222 . . . . 0.0 113.845 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 54.87 -109.49 0.5 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.954 1.701 . . . . 0.0 112.352 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.61 149.66 22.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.19 2.196 . . . . 0.0 109.298 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -70.39 -30.9 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.592 1.557 . . . . 0.0 114.698 -174.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -79.94 57.91 2.75 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -80.95 -12.24 59.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.334 1.454 . . . . 0.0 114.402 -173.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 76.13 9.24 85.53 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.717 1.151 . . . . 0.0 114.518 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.457 1.903 . . . . 0.0 113.476 -177.17 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.975 0.417 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.542 0.673 0 CA-C-O 119.534 -0.269 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.304 0.573 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 120.773 0.321 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.055 0.455 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 CA--C 1.546 0.814 0 CA-C-O 120.699 0.285 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.659 0.266 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.443 0.64 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.866 0.365 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -132.84 151.09 52.09 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.764 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.0 p -163.89 176.37 9.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.374 1.47 . . . . 0.0 111.981 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.66 157.21 45.36 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.245 1.818 . . . . 0.0 111.638 -173.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -141.7 164.01 31.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.925 1.69 . . . . 0.0 111.571 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -154.67 143.44 20.81 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.287 1.835 . . . . 0.0 110.213 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -116.53 -2.25 12.03 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.684 1.594 . . . . 0.0 112.506 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -81.7 72.3 8.74 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.31 1.052 . . . . 0.0 110.513 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.3 p -157.68 160.54 38.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.046 1.339 . . . . 0.0 113.096 -173.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.8 159.56 27.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.64 1.976 . . . . 0.0 110.664 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -151.52 -7.36 0.24 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 t -165.91 133.2 2.79 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.965 1.257 . . . . 0.0 112.75 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -160.5 162.23 32.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.097 1.759 . . . . 0.0 111.058 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.9 149.43 40.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.74 1.216 . . . . 0.0 113.111 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -155.58 125.65 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.668 1.587 . . . . 0.0 110.361 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.21 159.15 21.07 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.899 1.279 . . . . 0.0 112.47 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.4 m -128.03 13.06 6.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.702 1.601 . . . . 0.0 112.023 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.01 161.41 25.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.231 2.212 . . . . 0.0 110.607 -170.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -157.08 -95.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.986 0.914 . . . . 0.0 111.836 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -80.57 123.4 28.09 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.86 1.264 . . . . 0.0 110.457 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -166.91 170.93 11.72 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.339 1.455 . . . . 0.0 111.903 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -159.73 163.11 34.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.669 1.588 . . . . 0.0 111.257 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.16 163.7 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 111.416 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -160.68 168.74 24.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.511 1.524 . . . . 0.0 112.602 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.05 154.43 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.859 2.064 . . . . 0.0 109.882 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.8 151.63 24.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.769 1.228 . . . . 0.0 112.053 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -161.07 155.7 23.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.863 1.665 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -160.0 149.75 18.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.648 1.579 . . . . 0.0 111.464 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -157.71 136.63 11.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.467 1.507 . . . . 0.0 111.489 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -153.05 163.36 40.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.28 1.832 . . . . 0.0 111.047 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.89 118.33 8.49 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.76 1.224 . . . . 0.0 111.434 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.52 158.81 8.06 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.379 2.272 . . . . 0.0 110.301 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.95 144.26 98.75 Favored Pre-proline 0 CA--C 1.553 1.08 0 O-C-N 121.486 -0.759 . . . . 0.0 112.537 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.77 -26.74 4.41 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.04 2.493 . . . . 0.0 112.716 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -173.65 173.07 3.45 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.836 2.054 . . . . 0.0 111.816 -174.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.78 127.05 5.43 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.494 1.521 . . . . 0.0 113.47 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -64.15 153.58 75.55 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.775 2.983 . . . . 0.0 112.539 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -161.67 161.56 29.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.445 1.498 . . . . 0.0 112.067 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.55 137.63 53.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.358 1.463 . . . . 0.0 110.934 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -79.6 -13.38 59.56 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.81 129.83 34.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.575 1.15 . . . . 0.0 112.127 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -88.86 156.33 19.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.467 1.107 . . . . 0.0 110.994 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -161.9 -178.65 6.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.914 1.285 . . . . 0.0 111.576 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.83 141.54 15.64 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.489 1.916 . . . . 0.0 109.517 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 140.78 46.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.796 1.238 . . . . 0.0 111.285 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -163.05 146.62 10.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.589 1.556 . . . . 0.0 111.059 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -145.38 174.01 11.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.29 1.836 . . . . 0.0 111.81 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.93 159.75 30.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.411 1.484 . . . . 0.0 110.893 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.23 46.0 3.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.188 1.375 . . . . 0.0 113.421 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.79 86.51 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.596 1.57 . . . . 0.0 114.747 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.65 78.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-N 118.539 1.169 . . . . 0.0 114.767 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -160.89 178.71 9.13 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.452 1.501 . . . . 0.0 111.417 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -154.78 139.65 17.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.461 1.505 . . . . 0.0 111.826 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -99.57 170.77 8.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.335 1.454 . . . . 0.0 113.176 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.54 159.13 42.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.51 1.524 . . . . 0.0 111.394 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -87.5 3.52 47.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.76 1.224 . . . . 0.0 113.984 -173.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.57 147.41 45.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.722 1.209 . . . . 0.0 112.417 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.2 p -152.6 172.03 17.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.202 1.401 . . . . 0.0 112.176 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -73.93 154.6 39.31 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.061 -1.025 . . . . 0.0 113.188 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.18 148.73 51.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.863 1.265 . . . . 0.0 113.242 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -157.21 172.05 19.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.007 1.723 . . . . 0.0 112.138 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.21 96.3 0.63 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.69 1.196 . . . . 0.0 112.168 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 t -172.24 -44.13 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.52 1.928 . . . . 0.0 111.39 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t 69.65 -173.94 0.18 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.328 1.851 . . . . 0.0 113.748 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -162.88 -44.0 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.005 1.722 . . . . 0.0 112.88 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.79 149.82 9.61 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 110.513 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -112.28 -22.3 10.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.561 1.944 . . . . 0.0 112.369 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -156.55 134.67 11.23 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.646 -1.284 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.29 19.89 0.49 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.898 1.279 . . . . 0.0 113.047 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.79 169.34 18.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.512 1.525 . . . . 0.0 112.211 -172.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -60.96 146.78 45.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.712 1.605 . . . . 0.0 112.011 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.18 -5.4 39.03 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -77.43 49.49 0.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -83.06 -11.25 58.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.878 1.671 . . . . 0.0 113.948 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.43 -8.36 66.6 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 126.079 1.8 . . . . 0.0 114.185 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 128.218 2.607 . . . . 0.0 114.578 172.804 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.444 0.164 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -167.26 157.89 11.44 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.136 1.774 . . . . 0.0 110.84 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -164.5 174.37 11.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.77 134.05 26.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.202 1.801 . . . . 0.0 110.128 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.1 tp -163.55 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.506 1.522 . . . . 0.0 112.312 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.43 137.61 57.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.009 1.324 . . . . 0.0 112.252 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.23 153.43 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.945 1.298 . . . . 0.0 111.238 -169.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -84.21 50.47 1.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.017 1.327 . . . . 0.0 111.737 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.6 m -142.17 151.29 42.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.588 1.555 . . . . 0.0 112.008 -173.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.3 163.13 37.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.779 1.632 . . . . 0.0 112.086 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -151.41 31.18 0.59 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.395 1.478 . . . . 0.0 111.662 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -64.49 137.01 57.63 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.066 1.346 . . . . 0.0 113.24 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -159.59 148.65 17.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.593 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -162.47 155.85 20.36 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.514 1.926 . . . . 0.0 110.755 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -162.28 142.75 10.09 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.906 1.283 . . . . 0.0 112.277 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -165.74 123.83 1.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.957 1.703 . . . . 0.0 109.433 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -168.98 169.54 9.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.545 1.538 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -122.82 0.19 9.18 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.937 1.695 . . . . 0.0 112.291 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.9 p -83.27 -11.76 57.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.492 -1.38 . . . . 0.0 113.898 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.95 46.56 1.12 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.76 1.624 . . . . 0.0 111.454 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -162.6 -178.79 6.44 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.96 1.704 . . . . 0.0 111.726 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.57 159.17 32.96 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.306 1.842 . . . . 0.0 111.405 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.17 170.26 22.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.42 1.488 . . . . 0.0 112.208 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.45 163.13 37.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.347 1.859 . . . . 0.0 111.686 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.47 143.2 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.506 1.522 . . . . 0.0 110.656 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.9 t70 74.43 129.65 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.512 2.725 . . . . 0.0 113.635 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 m -166.85 157.7 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.925 2.09 . . . . 0.0 110.883 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -157.9 141.27 15.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.639 1.575 . . . . 0.0 111.087 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -118.1 -5.85 10.93 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.961 1.704 . . . . 0.0 112.797 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -85.06 46.73 1.31 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.165 1.386 . . . . 0.0 111.664 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.19 8.83 2.37 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.742 2.017 . . . . 0.0 114.683 -170.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.96 39.46 0.3 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.618 1.967 . . . . 0.0 113.051 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -55.5 -35.03 29.54 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -171.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.52 -21.0 66.23 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 123.797 2.998 . . . . 0.0 115.099 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -94.85 50.79 1.32 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.783 1.233 . . . . 0.0 112.675 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.24 -175.39 33.14 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.489 1.519 . . . . 0.0 113.71 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.18 153.41 67.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.864 3.043 . . . . 0.0 112.122 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.46 3.21 2.79 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.364 1.466 . . . . 0.0 112.947 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -129.35 130.83 46.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.191 1.796 . . . . 0.0 110.144 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -144.85 131.23 19.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 110.572 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -65.88 138.99 58.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -166.6 140.27 3.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.569 1.948 . . . . 0.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -170.67 -179.57 2.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.586 1.554 . . . . 0.0 110.928 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -140.68 133.95 29.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.954 1.701 . . . . 0.0 109.573 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -110.06 46.21 1.04 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.291 1.436 . . . . 0.0 111.013 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -157.3 156.5 32.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.304 1.842 . . . . 0.0 111.999 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -160.96 170.98 19.51 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.115 1.766 . . . . 0.0 112.143 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.69 151.54 47.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.764 0.826 . . . . 0.0 111.898 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.84 -152.52 21.34 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.13 1.347 . . . . 0.0 112.818 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.51 -171.32 49.5 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 113.335 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.01 -137.47 22.2 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.124 0.868 . . . . 0.0 112.091 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -160.74 149.8 16.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.925 1.29 . . . . 0.0 111.639 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -100.62 125.63 47.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.322 1.049 . . . . 0.0 110.87 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.67 137.34 52.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.012 1.325 . . . . 0.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -165.05 147.41 8.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.095 1.758 . . . . 0.0 110.577 -173.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.8 mt 64.38 6.23 2.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.757 2.023 . . . . 0.0 114.421 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -68.31 131.06 44.68 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.695 1.198 . . . . 0.0 111.434 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -163.83 -172.18 2.75 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.288 1.435 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 t -157.42 158.49 35.94 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -156.96 151.99 26.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.699 1.2 . . . . 0.0 112.466 -171.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -157.45 161.6 38.91 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.66 1.984 . . . . 0.0 111.039 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -146.53 137.98 24.48 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.912 1.285 . . . . 0.0 111.925 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -166.85 172.84 9.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.558 1.943 . . . . 0.0 110.928 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -159.72 159.78 33.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.495 1.518 . . . . 0.0 111.224 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.16 61.09 3.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.416 1.486 . . . . 0.0 111.866 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -70.96 159.34 34.9 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.075 1.75 . . . . 0.0 112.609 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.84 143.83 24.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.458 1.503 . . . . 0.0 110.401 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 m -119.5 157.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.217 1.407 . . . . 0.0 112.242 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.77 171.68 14.32 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.621 1.168 . . . . 0.0 111.842 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.82 5.82 0.51 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.997 1.719 . . . . 0.0 114.02 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -117.96 132.59 56.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 110.878 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.18 136.81 52.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.316 1.446 . . . . 0.0 111.75 -176.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -74.41 31.71 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.93 -19.31 60.73 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.776 1.63 . . . . 0.0 114.627 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.55 13.53 83.1 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.578 1.085 . . . . 0.0 114.83 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.356 1.862 . . . . 0.0 111.876 -175.192 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.416 0.15 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -161.76 141.78 10.32 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.017 1.727 . . . . 0.0 110.072 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.34 169.06 23.91 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.429 1.492 . . . . 0.0 111.123 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.64 161.58 35.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.129 1.772 . . . . 0.0 111.978 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.22 139.73 16.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.91 1.684 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -159.31 144.59 15.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.326 1.45 . . . . 0.0 111.403 -175.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -156.26 1.37 0.14 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.39 138.66 3.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.088 1.355 . . . . 0.0 111.38 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -155.83 23.2 0.39 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -153.45 147.99 26.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.506 1.523 . . . . 0.0 111.804 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -159.34 157.87 31.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.385 1.874 . . . . 0.0 110.988 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -149.7 162.56 40.0 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 0.0 112.824 -172.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -145.56 156.08 43.46 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.25 1.82 . . . . 0.0 110.41 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -135.93 17.44 3.26 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -168.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -156.27 171.44 20.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.695 1.598 . . . . 0.0 112.169 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -146.34 73.78 1.34 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.339 1.456 . . . . 0.0 108.243 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 p -165.09 143.34 6.32 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.111 1.365 . . . . 0.0 111.733 -169.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.5 -16.86 40.91 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 113.619 -173.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -170.05 -175.57 2.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.569 1.948 . . . . 0.0 110.756 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.17 130.04 30.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.163 1.785 . . . . 0.0 109.761 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -166.91 -173.34 2.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.648 1.579 . . . . 0.0 111.109 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.02 145.94 23.53 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.127 1.771 . . . . 0.0 110.288 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.14 23.54 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.959 1.303 . . . . 0.0 113.117 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -159.53 154.06 24.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.224 1.81 . . . . 0.0 110.737 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.8 m -155.52 151.22 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.829 2.052 . . . . 0.0 110.866 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -160.45 137.42 9.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.629 1.572 . . . . 0.0 110.892 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -165.7 155.39 12.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.291 1.436 . . . . 0.0 111.209 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.76 147.58 11.85 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.411 1.884 . . . . 0.0 111.053 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -158.73 137.88 11.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.613 1.565 . . . . 0.0 111.318 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -166.04 173.92 9.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.773 1.629 . . . . 0.0 111.048 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.88 112.12 11.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.746 1.218 . . . . 0.0 111.642 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.67 162.86 19.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.41 1.884 . . . . 0.0 111.241 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -139.08 146.24 48.58 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.206 1.403 . . . . 0.0 111.743 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.71 -19.46 12.74 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.474 2.783 . . . . 0.0 113.392 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.03 159.95 43.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.535 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.71 177.37 40.94 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.823 1.677 . . . . 0.0 112.785 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.8 140.05 91.37 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 124.33 3.353 . . . . 0.0 112.534 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.71 -19.62 58.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 112.882 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -165.08 158.02 16.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.116 2.167 . . . . 0.0 111.569 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -166.84 172.94 9.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.369 1.868 . . . . 0.0 110.959 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -149.83 154.33 38.23 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.045 1.338 . . . . 0.0 112.37 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -126.78 7.65 6.8 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.965 1.306 . . . . 0.0 113.684 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -80.34 -179.13 6.96 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.363 1.465 . . . . 0.0 112.608 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -143.11 140.79 31.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.236 1.414 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -159.15 154.62 25.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.098 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -165.23 152.83 11.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 112.27 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.85 171.79 9.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.387 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -156.7 -58.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.741 1.216 . . . . 0.0 111.09 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.82 -164.12 44.5 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.023 0.82 . . . . 0.0 112.399 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 155.07 42.27 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.384 0.992 . . . . 0.0 113.25 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.28 79.41 1.88 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.754 1.168 . . . . 0.0 112.127 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.0 p -161.47 170.07 20.65 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.239 1.416 . . . . 0.0 112.357 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.95 125.71 9.02 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 110.236 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.74 157.28 18.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.337 1.055 . . . . 0.0 112.509 -171.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 65.57 -178.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.463 2.305 . . . . 0.0 113.072 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -149.66 85.58 1.44 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.106 1.362 . . . . 0.0 109.576 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.61 154.75 12.05 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.469 1.908 . . . . 0.0 111.562 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -165.87 -174.97 3.22 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.382 1.473 . . . . 0.0 111.256 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 t -157.45 148.77 21.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.016 1.726 . . . . 0.0 110.547 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -85.38 141.79 29.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.314 1.046 . . . . 0.0 113.126 -174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.07 142.29 26.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.05 1.74 . . . . 0.0 110.838 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.06 -25.6 62.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.6 m 64.09 15.67 9.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.906 1.682 . . . . 0.0 114.141 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -159.52 -162.3 1.02 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.958 1.703 . . . . 0.0 111.277 -172.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -151.88 134.36 15.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.226 1.81 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.75 152.82 12.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.078 1.751 . . . . 0.0 109.978 -174.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -155.31 131.56 10.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.664 1.186 . . . . 0.0 111.399 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -160.2 162.58 33.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.618 1.567 . . . . 0.0 111.698 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.51 119.78 3.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.855 1.262 . . . . 0.0 111.238 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -153.1 176.79 11.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.453 2.301 . . . . 0.0 109.228 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.46 138.37 58.06 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.432 -0.793 . . . . 0.0 111.539 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 32.13 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.174 1.79 . . . . 0.0 112.734 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.31 -9.57 12.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -77.39 -22.49 51.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.651 1.581 . . . . 0.0 113.409 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 85.11 -49.32 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.969 2.223 . . . . 0.0 112.903 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.925 2.09 . . . . 0.0 112.244 -176.152 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.72 146.26 50.63 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.201 1.4 . . . . 0.0 110.593 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -166.5 155.58 11.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.585 1.954 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.38 145.62 32.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.711 1.604 . . . . 0.0 110.262 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -142.6 142.04 32.07 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.18 -15.66 49.66 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.235 1.014 . . . . 0.0 113.128 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -161.19 142.56 11.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.227 1.811 . . . . 0.0 109.309 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.34 12.1 7.3 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.514 1.126 . . . . 0.0 113.521 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -163.85 171.13 15.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.315 1.846 . . . . 0.0 111.069 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -152.67 24.42 0.59 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.423 1.889 . . . . 0.0 111.867 -175.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -154.1 151.05 28.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.967 1.707 . . . . 0.0 111.552 -173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -161.84 160.84 28.64 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.245 1.418 . . . . 0.0 111.616 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -157.26 151.06 24.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.604 1.562 . . . . 0.0 111.599 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -158.23 150.58 22.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.989 1.716 . . . . 0.0 111.115 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -157.14 142.45 17.27 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.485 1.514 . . . . 0.0 111.687 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -165.11 147.84 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.868 1.667 . . . . 0.0 109.891 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -65.64 153.07 42.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.538 1.135 . . . . 0.0 113.441 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.55 152.77 27.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.124 1.37 . . . . 0.0 111.68 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m -108.18 3.81 24.13 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.415 1.086 . . . . 0.0 113.527 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.38 -4.59 23.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.686 1.194 . . . . 0.0 113.562 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 p -73.3 -9.92 59.21 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.275 1.43 . . . . 0.0 113.418 169.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 82.75 147.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.828 2.851 . . . . 0.0 113.319 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.0 161.57 42.48 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.483 1.913 . . . . 0.0 111.066 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -157.91 165.27 35.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.326 1.45 . . . . 0.0 111.76 -172.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 143.36 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.608 1.963 . . . . 0.0 110.044 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.12 150.95 24.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.264 1.426 . . . . 0.0 111.612 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.1 p -162.72 159.42 24.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.437 1.495 . . . . 0.0 112.221 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -156.32 130.94 8.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 0.0 110.912 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -77.54 -13.97 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.815 1.246 . . . . 0.0 113.084 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 m 73.83 167.04 0.3 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.995 2.518 . . . . 0.0 114.506 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -156.37 129.22 7.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.544 1.537 . . . . 0.0 110.907 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.3 160.9 13.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.278 1.831 . . . . 0.0 111.161 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.63 148.13 98.61 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 123.372 0.669 . . . . 0.0 112.094 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.98 -23.03 22.3 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.287 2.658 . . . . 0.0 112.792 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -166.83 161.83 15.59 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.047 2.139 . . . . 0.0 110.843 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.37 116.07 4.14 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.367 -1.796 . . . . 0.0 110.642 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -66.31 143.45 70.47 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.085 2.523 . . . . 0.0 113.222 -175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -161.9 166.71 25.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.632 1.973 . . . . 0.0 111.526 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -64.82 147.24 53.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.067 0.947 . . . . 0.0 113.213 -174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.07 -10.92 59.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.7 mttp 63.26 42.34 7.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.406 1.483 . . . . 0.0 112.679 170.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 162.8 8.45 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.723 1.609 . . . . 0.0 113.846 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 m -140.22 154.65 46.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.498 1.519 . . . . 0.0 111.562 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 175.62 6.35 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.012 1.725 . . . . 0.0 112.697 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -132.37 152.17 51.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.704 1.602 . . . . 0.0 111.338 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -63.6 148.11 49.74 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.355 1.062 . . . . 0.0 112.751 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -161.12 168.28 24.61 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.677 1.591 . . . . 0.0 112.727 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -160.04 165.95 30.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.975 1.71 . . . . 0.0 110.577 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.15 45.25 2.76 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.262 1.41 . . . . 0.0 113.708 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -178.09 52.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.518 1.532 . . . . 0.0 113.388 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.19 162.28 40.23 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.691 1.138 . . . . 0.0 113.131 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.9 p -165.25 167.77 17.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.461 1.504 . . . . 0.0 111.758 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -160.77 158.93 29.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.289 1.436 . . . . 0.0 112.252 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -145.24 143.49 30.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.064 1.746 . . . . 0.0 110.835 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -147.64 153.53 39.48 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 0.0 111.496 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 tt -158.7 93.83 1.21 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.821 1.648 . . . . 0.0 108.272 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.17 130.97 39.05 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.269 1.028 . . . . 0.0 111.978 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -69.23 149.92 48.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.239 1.016 . . . . 0.0 112.777 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.1 p -78.37 155.16 30.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.234 1.013 . . . . 0.0 112.887 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -77.84 160.81 28.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.029 0.932 . . . . 0.0 113.064 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -159.76 151.22 19.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.424 1.49 . . . . 0.0 112.308 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -155.36 143.08 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.446 1.899 . . . . 0.0 109.896 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 m -66.61 140.94 57.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.388 1.075 . . . . 0.0 113.674 -171.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 m -78.64 -4.26 48.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.34 133.29 50.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.98 1.712 . . . . 0.0 112.754 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.06 7.58 2.24 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.203 1.401 . . . . 0.0 112.327 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.12 164.52 33.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.416 2.286 . . . . 0.0 109.654 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.3 m -61.7 129.67 42.16 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.779 1.232 . . . . 0.0 114.201 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.43 -19.21 61.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.654 1.182 . . . . 0.0 113.999 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.43 -0.26 3.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 114.879 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.77 19.9 3.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.217 1.807 . . . . 0.0 112.517 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -141.17 -73.04 0.34 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.238 1.415 . . . . 0.0 111.563 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -98.39 126.93 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -136.73 3.97 2.77 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.095 1.358 . . . . 0.0 114.147 -170.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.78 8.26 82.95 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.647 1.594 . . . . 0.0 114.082 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.744 2.018 . . . . 0.0 113.442 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -168.37 160.97 11.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.508 1.923 . . . . 0.0 110.75 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -163.18 173.71 13.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.366 1.466 . . . . 0.0 111.996 -175.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.4 161.69 41.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.066 1.747 . . . . 0.0 111.659 -172.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 174.05 15.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.181 1.792 . . . . 0.0 111.892 -174.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -137.0 146.94 45.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.883 1.673 . . . . 0.0 110.97 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -93.56 8.45 40.69 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.571 1.148 . . . . 0.0 112.805 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -155.64 138.17 15.01 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.35 1.46 . . . . 0.0 110.564 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -164.06 171.01 15.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.382 1.873 . . . . 0.0 110.427 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.19 153.93 22.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.607 1.563 . . . . 0.0 112.82 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -163.78 150.05 11.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.727 2.011 . . . . 0.0 110.372 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 t -160.31 144.69 14.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.252 1.021 . . . . 0.0 112.141 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -163.89 154.38 15.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.692 1.997 . . . . 0.0 110.541 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -156.06 146.73 21.92 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.047 1.339 . . . . 0.0 111.818 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -159.75 144.4 15.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.282 1.833 . . . . 0.0 110.831 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.86 150.8 13.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.187 1.395 . . . . 0.0 110.535 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 m -106.02 15.89 25.83 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.725 1.61 . . . . 0.0 113.36 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -155.4 147.26 23.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.196 1.799 . . . . 0.0 110.234 -173.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -163.72 167.32 21.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.428 1.891 . . . . 0.0 111.033 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.66 136.05 57.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.237 1.015 . . . . 0.0 111.439 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -161.08 -166.75 1.64 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.311 1.444 . . . . 0.0 111.152 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.22 163.63 39.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.868 1.667 . . . . 0.0 112.126 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.77 172.84 17.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.962 1.705 . . . . 0.0 111.696 -175.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -154.49 163.68 39.83 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.439 1.496 . . . . 0.0 111.61 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.78 146.48 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.651 1.981 . . . . 0.0 109.878 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.96 144.37 24.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.736 1.215 . . . . 0.0 112.057 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -166.15 178.48 6.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.598 1.959 . . . . 0.0 110.282 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -154.3 146.89 24.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.201 1.401 . . . . 0.0 113.04 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -165.84 143.64 5.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.233 2.213 . . . . 0.0 109.918 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -163.45 165.59 23.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 113.051 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.34 15.86 4.1 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.775 1.63 . . . . 0.0 112.252 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.75 30.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.723 2.009 . . . . 0.0 111.222 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -154.46 137.46 10.27 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.272 1.429 . . . . 0.0 110.815 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -73.28 -25.74 15.31 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.958 2.439 . . . . 0.0 113.949 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -166.54 160.0 14.87 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.363 1.465 . . . . 0.0 112.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.04 135.97 6.78 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 117.999 -1.445 . . . . 0.0 111.498 170.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.08 145.02 19.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.404 2.736 . . . . 0.0 111.681 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -161.89 152.61 17.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.113 1.765 . . . . 0.0 111.61 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -69.83 152.5 44.49 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.231 1.012 . . . . 0.0 113.393 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.09 153.79 19.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.62 1.168 . . . . 0.0 111.856 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 66.16 10.77 7.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.415 1.886 . . . . 0.0 115.256 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.88 -0.23 54.84 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 149.58 38.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.24 1.416 . . . . 0.0 113.243 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 132.33 46.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.836 0.854 . . . . 0.0 111.55 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -157.92 155.14 29.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.867 1.667 . . . . 0.0 110.807 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -139.93 141.55 36.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.348 1.459 . . . . 0.0 111.574 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -155.86 147.35 22.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.135 1.774 . . . . 0.0 111.425 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 65.09 10.31 6.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.374 1.87 . . . . 0.0 114.25 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.58 -170.0 37.3 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.416 1.484 . . . . 0.0 113.677 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.2 84.01 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.498 1.047 . . . . 0.0 114.689 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.54 -159.33 15.04 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.433 1.492 . . . . 0.0 113.169 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -159.29 160.58 35.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.086 1.354 . . . . 0.0 111.357 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -160.0 152.28 20.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.25 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -121.65 160.34 24.64 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.422 1.489 . . . . 0.0 112.514 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.5 142.08 18.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.292 1.837 . . . . 0.0 109.959 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp 57.17 37.32 28.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.619 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.92 140.11 58.33 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.274 1.43 . . . . 0.0 112.624 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -126.15 170.89 11.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.534 1.534 . . . . 0.0 111.5 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.8 m -138.31 163.76 30.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.746 1.219 . . . . 0.0 112.093 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -62.21 144.41 55.54 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.617 1.167 . . . . 0.0 113.279 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -77.31 -25.83 51.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -162.17 159.79 26.35 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.746 1.619 . . . . 0.0 111.523 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -167.76 158.35 10.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.486 1.915 . . . . 0.0 110.984 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 t -163.6 144.1 8.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.242 1.417 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.62 -1.19 57.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.949 1.699 . . . . 0.0 113.397 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.74 152.08 45.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.836 1.254 . . . . 0.0 112.522 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 73.2 30.79 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.547 1.939 . . . . 0.0 113.066 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -151.44 155.76 39.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.925 1.29 . . . . 0.0 112.071 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -100.71 -8.53 22.72 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.48 1.512 . . . . 0.0 113.441 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.79 148.03 12.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.978 1.311 . . . . 0.0 112.309 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -167.43 166.51 14.36 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.717 2.007 . . . . 0.0 109.546 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 77.11 -2.12 2.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.882 2.473 . . . . 0.0 114.263 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -74.72 27.29 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -83.48 -15.32 49.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.335 1.854 . . . . 0.0 114.401 -170.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 80.14 10.52 85.41 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.967 1.27 . . . . 0.0 114.225 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.378 1.871 . . . . 0.0 113.597 -178.78 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.054 0.02 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.49 125.26 13.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.498 1.519 . . . . 0.0 108.997 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t 69.64 -30.07 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.291 2.236 . . . . 0.0 114.491 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.98 167.99 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.02 146.9 25.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.435 1.494 . . . . 0.0 110.783 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -160.31 143.94 13.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.909 1.284 . . . . 0.0 112.03 -175.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -161.51 134.42 6.19 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.93 1.692 . . . . 0.0 109.394 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.56 27.13 2.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.214 1.406 . . . . 0.0 111.445 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -158.26 162.81 37.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.357 1.463 . . . . 0.0 112.355 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -149.15 23.04 0.95 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.617 . . . . 0.0 112.911 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.56 139.7 57.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.607 1.563 . . . . 0.0 113.089 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 t -163.54 -177.64 5.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.505 1.522 . . . . 0.0 111.409 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -150.86 168.7 23.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.697 1.599 . . . . 0.0 112.27 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -157.96 172.81 17.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.802 1.641 . . . . 0.0 111.776 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -154.52 147.55 24.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.219 1.408 . . . . 0.0 111.351 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -160.62 139.91 10.66 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.906 1.682 . . . . 0.0 109.933 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -64.38 131.52 47.46 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.459 1.103 . . . . 0.0 113.349 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.46 0.17 47.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.574 1.549 . . . . 0.0 113.703 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 p -81.66 -0.63 43.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.013 1.725 . . . . 0.0 114.304 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.58 115.42 7.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.742 1.217 . . . . 0.0 110.859 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.7 m -170.75 160.92 7.17 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.461 2.304 . . . . 0.0 110.332 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.78 142.7 46.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.192 0.997 . . . . 0.0 111.986 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.03 157.72 21.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.013 1.725 . . . . 0.0 111.49 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -161.17 163.15 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.971 1.708 . . . . 0.0 110.909 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.13 139.4 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.688 1.995 . . . . 0.0 110.622 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -165.07 161.46 19.7 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.96 1.704 . . . . 0.0 111.187 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 t -160.57 141.53 11.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.273 1.429 . . . . 0.0 110.986 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -163.04 164.66 25.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.561 1.544 . . . . 0.0 112.659 -169.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -156.58 136.86 12.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.125 1.77 . . . . 0.0 110.388 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -165.57 167.47 17.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.863 1.265 . . . . 0.0 112.626 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -157.48 149.08 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.274 1.83 . . . . 0.0 110.672 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.64 159.43 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.041 1.336 . . . . 0.0 112.403 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -152.82 136.7 10.24 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.656 1.582 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.82 -17.26 25.82 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.213 2.608 . . . . 0.0 114.778 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -162.64 150.37 13.85 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.362 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.39 -172.42 47.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.314 1.435 . . . . 0.0 113.146 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.92 136.06 31.61 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.569 2.846 . . . . 0.0 110.897 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -101.57 1.35 37.79 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.036 1.334 . . . . 0.0 113.214 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -129.31 157.79 40.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.848 1.659 . . . . 0.0 112.424 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -158.37 175.72 13.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.11 2.164 . . . . 0.0 110.337 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -149.75 157.26 43.05 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -160.07 146.33 15.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.751 2.021 . . . . 0.0 110.313 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -143.94 168.13 20.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.514 1.126 . . . . 0.0 112.201 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -156.36 164.23 38.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.402 1.481 . . . . 0.0 111.437 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -77.83 -1.11 29.94 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -78.97 81.75 5.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.635 1.174 . . . . 0.0 110.755 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -112.75 2.73 16.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.574 1.549 . . . . 0.0 114.031 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -82.79 -4.73 58.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.31 65.89 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.089 0.852 . . . . 0.0 114.797 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.99 -126.88 8.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.978 1.275 . . . . 0.0 112.296 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.55 -169.02 37.41 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.806 1.193 . . . . 0.0 113.988 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -160.04 167.91 26.8 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.269 1.428 . . . . 0.0 111.459 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -159.29 142.74 14.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 136.63 13.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.863 1.265 . . . . 0.0 111.315 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.21 147.6 48.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 112.29 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.09 15.65 0.27 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.025 1.33 . . . . 0.0 114.17 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.69 -26.47 63.43 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 m -75.71 151.55 37.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.536 1.135 . . . . 0.0 112.95 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.7 p -157.77 159.12 36.44 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.879 1.272 . . . . 0.0 111.96 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -78.6 143.09 36.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.812 0.845 . . . . 0.0 113.212 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -156.26 135.6 12.22 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.998 1.719 . . . . 0.0 110.446 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.13 160.28 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.372 1.469 . . . . 0.0 112.288 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -162.37 158.33 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.898 1.679 . . . . 0.0 111.309 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.9 p -165.31 168.03 17.28 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.856 1.263 . . . . 0.0 112.328 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -156.75 135.1 11.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.84 1.656 . . . . 0.0 110.407 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.93 147.28 8.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 110.585 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.12 157.38 34.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.992 1.717 . . . . 0.0 110.896 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -164.89 -48.49 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.414 1.086 . . . . 0.0 112.421 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -160.75 140.69 11.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.577 1.551 . . . . 0.0 111.05 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -167.51 157.95 11.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.827 1.651 . . . . 0.0 111.404 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.77 15.33 4.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.404 1.482 . . . . 0.0 112.311 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.29 110.1 18.31 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.171 1.388 . . . . 0.0 111.952 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -86.44 81.14 8.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -83.91 -5.33 59.19 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.06 10.86 85.74 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.77 1.176 . . . . 0.0 114.651 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.192 1.797 . . . . 0.0 114.007 -179.165 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.79 161.98 18.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.155 1.382 . . . . 0.0 111.628 -169.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 150.27 14.44 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.39 1.476 . . . . 0.0 110.686 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -148.11 143.62 27.27 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.846 1.658 . . . . 0.0 110.659 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.21 125.29 46.35 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.27 . . . . 0.0 108.784 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -163.18 151.22 13.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.235 1.414 . . . . 0.0 111.519 -171.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -160.32 160.33 32.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.503 1.521 . . . . 0.0 110.94 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.79 128.13 34.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.724 0.81 . . . . 0.0 110.87 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 m -168.04 160.63 12.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.903 2.081 . . . . 0.0 110.596 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -158.47 159.02 35.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.452 1.501 . . . . 0.0 112.301 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -160.96 155.87 23.98 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.282 1.833 . . . . 0.0 110.926 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -161.03 156.45 24.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.847 1.259 . . . . 0.0 111.95 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -158.29 150.42 21.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.92 1.688 . . . . 0.0 111.326 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -159.37 153.62 23.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.172 1.789 . . . . 0.0 111.031 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -161.93 143.39 11.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 111.271 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -146.89 149.32 33.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.898 1.679 . . . . 0.0 110.525 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -81.92 76.15 8.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.949 0.88 . . . . 0.0 111.11 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -143.04 144.23 32.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.233 1.813 . . . . 0.0 110.359 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -164.16 179.99 6.53 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 111.519 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -74.87 144.73 43.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.363 1.465 . . . . 0.0 111.609 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.6 p -155.24 176.05 13.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.286 1.434 . . . . 0.0 112.206 -176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.26 140.54 19.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.236 1.414 . . . . 0.0 110.494 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.81 172.39 13.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.963 1.305 . . . . 0.0 113.548 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -152.78 162.13 41.66 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.026 1.731 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 p -163.43 149.43 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.056 1.742 . . . . 0.0 110.615 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -152.5 150.13 29.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.17 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.8 p -161.75 171.66 17.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.149 1.38 . . . . 0.0 112.615 -171.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.86 150.63 28.6 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.04 149.33 21.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.554 1.541 . . . . 0.0 111.66 -173.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -146.82 164.09 33.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.513 1.525 . . . . 0.0 112.229 -171.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -147.09 139.58 24.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.508 . . . . 0.0 111.128 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.83 177.27 8.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.054 1.742 . . . . 0.0 111.415 -173.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.08 139.05 72.33 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 124.065 0.946 . . . . 0.0 112.286 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -64.08 12.99 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 125.103 3.869 . . . . 0.0 115.931 169.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.45 -178.35 4.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.768 2.427 . . . . 0.0 110.73 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.63 -135.69 1.61 Allowed Glycine 0 CA--C 1.544 1.882 0 C-N-CA 125.191 1.376 . . . . 0.0 113.052 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.46 152.41 47.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.849 3.033 . . . . 0.0 112.698 171.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.39 -16.75 62.42 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -167.69 175.1 7.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.101 2.16 . . . . 0.0 111.705 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -156.16 153.15 28.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.443 1.497 . . . . 0.0 111.013 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.58 131.55 35.21 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.87 0.868 . . . . 0.0 111.967 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -159.06 117.68 2.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.791 1.636 . . . . 0.0 110.194 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.0 p -171.74 173.45 4.58 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.286 1.434 . . . . 0.0 111.713 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.19 162.06 36.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.976 1.71 . . . . 0.0 110.734 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -158.26 168.11 27.94 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.236 1.414 . . . . 0.0 112.025 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -157.43 149.98 22.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.775 1.63 . . . . 0.0 110.73 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -147.97 172.11 14.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.731 1.612 . . . . 0.0 112.569 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.58 133.97 51.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.88 163.99 10.17 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.372 1.463 . . . . 0.0 113.481 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.0 -160.79 53.59 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.51 1.052 . . . . 0.0 113.351 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.94 141.19 6.82 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 124.675 1.131 . . . . 0.0 112.725 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 p -77.94 -7.08 56.3 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -154.47 140.75 18.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.28 1.832 . . . . 0.0 110.18 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -104.95 140.01 38.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.572 1.149 . . . . 0.0 111.68 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -73.86 148.58 42.21 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.532 1.133 . . . . 0.0 112.065 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -159.88 92.88 1.04 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.198 1.399 . . . . 0.0 110.024 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.89 -17.0 61.05 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 m -66.8 -13.98 62.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.916 1.286 . . . . 0.0 113.634 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -79.64 4.48 15.92 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.436 1.094 . . . . 0.0 113.368 171.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.11 167.88 20.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.634 1.974 . . . . 0.0 111.514 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -155.35 -42.52 0.08 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.327 1.051 . . . . 0.0 113.508 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -161.02 155.63 23.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.396 1.478 . . . . 0.0 111.437 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.0 p -153.03 5.7 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.678 1.991 . . . . 0.0 113.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 155.47 26.55 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.703 -1.248 . . . . 0.0 113.486 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -157.28 146.79 20.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.165 1.786 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.7 137.86 7.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.857 1.263 . . . . 0.0 110.821 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.06 4.06 3.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.742 1.617 . . . . 0.0 113.782 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -162.79 -178.15 5.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.889 1.675 . . . . 0.0 111.177 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.11 131.23 12.69 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.79 1.636 . . . . 0.0 111.497 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -150.6 169.53 21.34 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.033 2.133 . . . . 0.0 110.107 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -136.89 128.93 29.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.007 1.323 . . . . 0.0 110.165 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -169.82 176.72 4.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.73 2.412 . . . . 0.0 110.736 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -82.45 126.36 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -140.27 1.73 1.82 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.699 1.6 . . . . 0.0 113.975 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.59 108.24 1.94 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.969 1.747 . . . . 0.0 111.016 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.478 1.911 . . . . 0.0 111.909 -177.165 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.73 150.74 37.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.822 1.649 . . . . 0.0 110.192 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 m -164.46 149.67 10.09 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.152 1.781 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -158.35 140.58 14.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.253 1.821 . . . . 0.0 108.705 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.0 tp -154.61 124.07 6.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.106 1.362 . . . . 0.0 110.302 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -165.95 137.88 3.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.313 1.845 . . . . 0.0 110.353 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -163.25 132.45 4.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.714 1.206 . . . . 0.0 110.443 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -150.25 12.03 0.73 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.616 1.166 . . . . 0.0 113.861 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.8 m 67.49 176.97 0.25 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.852 2.061 . . . . 0.0 114.258 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -156.23 128.13 7.39 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.805 1.642 . . . . 0.0 110.488 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -166.95 165.83 15.73 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.224 1.809 . . . . 0.0 110.968 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.1 p -149.85 140.61 22.69 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.048 1.339 . . . . 0.0 111.75 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -166.18 177.51 6.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.657 1.583 . . . . 0.0 111.606 -169.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -133.46 156.06 48.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.733 1.613 . . . . 0.0 110.742 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -66.67 -22.55 66.09 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -163.3 153.63 15.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.606 1.962 . . . . 0.0 109.672 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.6 p -139.72 -2.56 1.54 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.454 1.501 . . . . 0.0 114.352 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.5 161.03 43.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.891 1.276 . . . . 0.0 112.188 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.2 p -163.93 178.88 7.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.92 1.288 . . . . 0.0 112.187 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -125.62 132.18 52.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.443 1.497 . . . . 0.0 109.878 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 t -167.05 -176.57 3.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.135 1.774 . . . . 0.0 110.518 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -154.47 124.51 6.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.246 1.419 . . . . 0.0 110.308 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.0 61.71 5.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.127 1.371 . . . . 0.0 111.829 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.99 36.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.899 2.08 . . . . 0.0 113.991 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.15 137.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.962 2.505 . . . . 0.0 109.431 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.05 136.5 5.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.534 1.534 . . . . 0.0 110.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -150.67 140.6 21.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.471 1.509 . . . . 0.0 111.132 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.75 141.31 10.05 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 111.023 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.06 138.8 8.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.805 1.642 . . . . 0.0 111.173 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -166.71 167.76 14.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.496 1.518 . . . . 0.0 112.087 -176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.67 157.49 33.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.68 1.592 . . . . 0.0 111.965 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.01 159.29 29.23 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.692 1.597 . . . . 0.0 111.455 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.45 129.09 94.01 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.791 0.836 . . . . 0.0 111.445 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.09 -16.11 14.26 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.175 2.583 . . . . 0.0 114.684 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -141.1 134.62 29.95 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.513 1.125 . . . . 0.0 111.643 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.38 50.09 61.73 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 117.529 -1.706 . . . . 0.0 114.897 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.5 176.85 6.76 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.691 2.928 . . . . 0.0 111.76 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -68.78 128.54 37.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.304 1.042 . . . . 0.0 111.703 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.44 176.85 9.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.317 1.847 . . . . 0.0 112.617 -172.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.43 174.76 14.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.017 1.727 . . . . 0.0 111.313 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -150.46 158.2 43.89 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.867 1.267 . . . . 0.0 112.939 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -158.25 121.31 3.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.728 1.611 . . . . 0.0 110.458 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.3 p -172.04 169.06 5.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.339 1.456 . . . . 0.0 111.603 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.63 1.97 0.71 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.698 1.199 . . . . 0.0 114.16 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.3 152.63 44.76 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.565 1.146 . . . . 0.0 112.874 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -160.09 146.4 15.75 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.647 1.979 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.41 148.2 28.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.511 1.124 . . . . 0.0 113.109 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -127.95 143.09 51.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.369 1.467 . . . . 0.0 110.298 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.48 -1.05 78.62 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.438 1.018 . . . . 0.0 114.729 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.36 -63.47 4.15 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.58 1.562 . . . . 0.0 111.835 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.64 -154.79 31.38 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.544 1.545 . . . . 0.0 112.202 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -158.9 160.14 35.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 111.907 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -160.96 146.89 14.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.135 1.374 . . . . 0.0 111.607 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.95 161.08 37.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.834 1.654 . . . . 0.0 112.045 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -131.61 -22.14 2.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.724 1.609 . . . . 0.0 113.706 -174.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp 61.9 63.32 1.13 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.817 2.047 . . . . 0.0 111.2 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -142.17 149.77 40.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.664 1.586 . . . . 0.0 112.574 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -152.52 158.37 42.44 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 110.689 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 t -161.11 -35.88 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 113.933 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.48 126.69 1.95 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.962 1.305 . . . . 0.0 111.961 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -79.87 -1.69 40.23 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -134.84 -24.25 1.5 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.756 1.223 . . . . 0.0 113.889 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -111.16 8.16 21.55 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.44 1.496 . . . . 0.0 113.25 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -156.81 -171.69 3.76 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.478 . . . . 0.0 111.702 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.91 113.7 24.51 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.204 1.802 . . . . 0.0 110.699 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.25 140.96 29.18 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.305 1.442 . . . . 0.0 111.183 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -152.89 63.6 0.78 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.204 1.402 . . . . 0.0 109.756 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 t -162.65 132.34 4.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.445 1.498 . . . . 0.0 109.734 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -167.15 -179.35 4.54 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.389 1.476 . . . . 0.0 111.519 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.26 159.36 31.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.521 1.129 . . . . 0.0 111.76 169.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.79 -16.17 63.24 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.04 163.26 11.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.957 2.103 . . . . 0.0 111.781 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -78.35 63.23 3.18 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -88.34 -11.35 46.54 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.905 1.282 . . . . 0.0 114.167 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.64 15.18 76.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.901 1.239 . . . . 0.0 114.432 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.326 1.851 . . . . 0.0 111.874 -175.015 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.4 152.22 40.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.907 1.683 . . . . 0.0 110.183 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -161.85 162.09 29.22 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.105 1.362 . . . . 0.0 111.401 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.39 159.44 28.24 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.011 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -157.64 173.43 16.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.607 1.563 . . . . 0.0 112.208 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.21 149.09 17.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.378 1.871 . . . . 0.0 110.317 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -142.96 135.79 27.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.863 1.265 . . . . 0.0 110.464 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -163.07 136.22 5.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.926 1.69 . . . . 0.0 109.566 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 p -126.01 1.37 7.27 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -162.31 146.68 12.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.037 1.735 . . . . 0.0 111.263 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -160.06 137.63 9.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.992 1.717 . . . . 0.0 110.746 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.9 p -167.44 176.74 6.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.103 1.361 . . . . 0.0 112.405 -172.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.6 156.54 47.66 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.779 1.632 . . . . 0.0 111.27 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -66.62 149.76 50.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.398 1.079 . . . . 0.0 112.588 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -72.48 138.41 47.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.996 0.918 . . . . 0.0 112.058 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -158.68 131.29 6.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.575 1.55 . . . . 0.0 109.601 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 t -165.89 164.47 18.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.458 1.503 . . . . 0.0 111.078 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -143.41 8.59 1.58 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.9 m -69.45 -4.55 19.13 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.086 -1.634 . . . . 0.0 115.094 -169.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 -10.75 59.83 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.119 1.368 . . . . 0.0 112.263 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.6 m -134.89 169.45 17.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.482 1.513 . . . . 0.0 112.82 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.89 150.34 22.47 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.741 1.616 . . . . 0.0 110.741 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.71 167.37 21.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.561 1.544 . . . . 0.0 112.073 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.19 159.44 37.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.429 1.892 . . . . 0.0 110.551 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -165.65 142.25 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.912 1.685 . . . . 0.0 110.962 -172.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.35 141.41 12.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.125 1.77 . . . . 0.0 110.578 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -164.09 149.7 10.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.33 1.852 . . . . 0.0 111.226 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.93 150.55 15.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.009 1.724 . . . . 0.0 111.058 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -156.93 131.3 8.57 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.55 1.54 . . . . 0.0 110.885 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -168.5 -177.27 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.858 1.663 . . . . 0.0 111.097 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -153.57 139.3 17.96 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.139 1.776 . . . . 0.0 111.194 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.66 156.52 30.12 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.998 1.719 . . . . 0.0 110.705 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -141.48 149.13 53.26 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.653 1.181 . . . . 0.0 112.046 -170.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.26 -10.88 29.05 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.782 2.988 . . . . 0.0 114.844 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -155.39 150.61 26.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.482 1.913 . . . . 0.0 110.716 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.39 -100.04 1.57 Allowed Glycine 0 CA--C 1.535 1.292 0 CA-C-O 117.726 -1.597 . . . . 0.0 111.374 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.93 -25.01 39.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.358 2.705 . . . . 0.0 113.285 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.87 -11.79 60.04 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.788 1.235 . . . . 0.0 113.489 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -107.68 165.06 11.71 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.89 1.676 . . . . 0.0 112.337 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -156.65 156.97 34.39 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.614 . . . . 0.0 111.036 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.11 139.18 30.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 111.34 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -161.22 148.78 15.22 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.937 1.695 . . . . 0.0 111.723 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.9 p -172.36 -178.54 2.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.613 1.565 . . . . 0.0 111.211 -170.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.16 131.4 18.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.29 1.436 . . . . 0.0 109.434 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -164.02 167.98 19.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.614 1.566 . . . . 0.0 111.718 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -163.38 164.31 24.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.126 1.77 . . . . 0.0 111.683 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.05 151.54 42.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.963 0.905 . . . . 0.0 112.051 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -69.66 151.47 45.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.634 0.774 . . . . 0.0 111.876 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.52 -170.29 43.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.338 0.971 . . . . 0.0 113.859 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.75 -11.7 67.92 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.243 1.402 . . . . 0.0 114.753 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.76 31.36 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.325 1.44 . . . . 0.0 112.546 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -163.94 164.21 23.31 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.92 1.288 . . . . 0.0 112.229 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -161.86 165.45 27.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.129 1.771 . . . . 0.0 111.601 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -157.04 137.16 12.69 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.108 1.363 . . . . 0.0 111.312 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -153.21 85.01 1.2 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.318 1.447 . . . . 0.0 110.416 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -171.42 102.76 0.2 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.522 2.329 . . . . 0.0 108.101 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -157.16 144.74 18.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 m -64.46 134.19 54.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.408 1.083 . . . . 0.0 112.323 171.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.2 p -122.96 7.85 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.166 1.386 . . . . 0.0 113.879 -172.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 147.93 23.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.44 1.496 . . . . 0.0 111.618 -174.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -158.16 175.13 14.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.066 1.747 . . . . 0.0 111.832 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -147.46 133.8 19.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.166 1.386 . . . . 0.0 110.989 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -168.77 179.99 3.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.16 1.784 . . . . 0.0 110.856 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.9 m -160.4 129.51 4.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.665 1.986 . . . . 0.0 110.464 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.19 -18.12 23.93 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -171.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -163.61 135.63 5.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.411 1.484 . . . . 0.0 110.816 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -164.17 132.08 3.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.204 1.802 . . . . 0.0 109.677 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 t -165.02 162.41 20.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.045 1.338 . . . . 0.0 111.965 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -133.6 17.78 3.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.071 2.148 . . . . 0.0 111.472 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.89 -3.14 20.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -160.35 139.91 11.01 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.99 1.716 . . . . 0.0 109.424 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -77.18 6.34 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -57.7 -16.62 11.45 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -78.21 -24.49 47.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.377 2.271 . . . . 0.0 113.368 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.91 21.33 76.7 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.19 1.376 . . . . 0.0 115.987 168.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.238 1.415 . . . . 0.0 113.847 -176.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.46 0.171 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.86 165.54 11.64 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.425 1.89 . . . . 0.0 110.674 -172.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -160.88 149.89 16.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.082 1.753 . . . . 0.0 110.742 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.41 162.13 38.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.913 1.685 . . . . 0.0 110.767 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -148.03 126.67 12.52 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.552 1.541 . . . . 0.0 109.257 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.62 8.83 7.02 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.804 1.242 . . . . 0.0 113.374 -174.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -70.99 -24.78 62.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.086 0.954 . . . . 0.0 111.968 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -144.14 112.41 6.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.587 1.955 . . . . 0.0 107.712 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -156.18 18.44 0.36 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.25 141.85 25.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.418 . . . . 0.0 112.014 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -163.26 156.54 19.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.913 2.085 . . . . 0.0 110.32 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -159.64 156.18 27.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.434 1.093 . . . . 0.0 112.549 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -157.45 146.56 19.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.106 1.763 . . . . 0.0 110.973 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -162.66 162.68 27.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.25 1.82 . . . . 0.0 111.088 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -157.26 128.89 6.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.845 1.258 . . . . 0.0 111.059 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -149.78 151.43 33.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.285 1.834 . . . . 0.0 110.137 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.6 m -65.47 130.35 42.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.061 0.944 . . . . 0.0 112.427 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.83 142.02 11.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.576 1.55 . . . . 0.0 109.963 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -161.65 -179.73 7.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.421 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 136.62 50.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.16 1.384 . . . . 0.0 111.211 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -75.4 157.53 34.03 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -157.81 140.15 14.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.812 1.645 . . . . 0.0 110.009 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.34 153.98 41.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.471 1.108 . . . . 0.0 113.405 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.14 167.79 20.86 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.433 1.493 . . . . 0.0 113.159 174.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.14 142.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.374 1.47 . . . . 0.0 110.562 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -162.9 171.12 17.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.741 2.016 . . . . 0.0 110.408 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -145.55 134.29 22.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.592 1.157 . . . . 0.0 111.896 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -165.31 160.78 18.62 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.367 2.267 . . . . 0.0 110.202 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -152.43 149.92 29.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.777 1.231 . . . . 0.0 113.024 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -167.2 176.8 6.54 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.892 2.077 . . . . 0.0 110.144 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -159.11 157.97 32.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.473 1.509 . . . . 0.0 112.897 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.0 146.41 17.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.279 1.832 . . . . 0.0 110.346 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -69.99 121.92 84.44 Favored Pre-proline 0 CA--C 1.554 1.126 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.18 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.95 -23.55 6.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.967 2.445 . . . . 0.0 114.112 -169.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -147.76 139.76 24.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.07 1.348 . . . . 0.0 111.256 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.2 85.37 0.39 Allowed Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.241 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.78 172.62 15.46 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.798 2.999 . . . . 0.0 112.236 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -143.93 141.5 30.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.464 1.505 . . . . 0.0 111.225 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -85.93 151.41 23.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.904 1.281 . . . . 0.0 114.068 -169.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -150.64 139.55 20.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.49 1.916 . . . . 0.0 109.196 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -141.46 152.16 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.088 1.355 . . . . 0.0 112.173 -173.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.95 156.81 27.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.205 1.802 . . . . 0.0 111.89 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 p -170.04 -43.86 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -135.92 144.61 45.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.586 1.554 . . . . 0.0 110.728 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.09 -1.32 2.41 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.598 1.159 . . . . 0.0 113.863 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -81.12 149.97 28.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.805 1.242 . . . . 0.0 113.099 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -144.68 14.82 1.57 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 113.258 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -150.41 171.51 16.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.63 2.372 . . . . 0.0 109.623 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.56 36.12 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.717 1.151 . . . . 0.0 114.523 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.43 119.32 6.56 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.53 1.86 90.29 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.567 1.08 . . . . 0.0 114.772 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 p -136.17 0.62 2.61 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.724 1.262 . . . . 0.0 114.245 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -70.31 161.09 31.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.972 1.309 . . . . 0.0 113.362 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.4 164.39 36.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.352 1.461 . . . . 0.0 113.413 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -84.03 -177.36 6.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.381 1.472 . . . . 0.0 112.282 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.89 93.57 2.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.161 1.784 . . . . 0.0 108.313 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -66.7 -22.45 66.07 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.993 1.317 . . . . 0.0 114.446 -172.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.9 m -140.45 128.29 21.86 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.785 1.234 . . . . 0.0 111.143 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.9 p -168.19 165.85 13.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 111.224 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -161.3 138.08 8.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.026 1.33 . . . . 0.0 111.102 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -147.66 141.17 25.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.205 1.402 . . . . 0.0 111.934 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -105.03 -6.65 19.81 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.321 . . . . 0.0 113.322 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -77.45 -4.98 48.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 t -164.69 175.63 9.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.291 1.836 . . . . 0.0 110.957 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.89 136.15 45.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.813 1.245 . . . . 0.0 111.951 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.53 127.02 4.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.155 1.382 . . . . 0.0 110.069 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -169.51 146.68 3.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.218 1.807 . . . . 0.0 109.822 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -141.19 165.75 26.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.757 1.623 . . . . 0.0 111.645 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -150.15 143.99 25.4 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.272 1.429 . . . . 0.0 111.56 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.89 121.73 23.31 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.467 1.107 . . . . 0.0 110.976 -172.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -165.94 149.8 7.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.141 2.176 . . . . 0.0 108.652 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.34 137.02 57.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.144 0.978 . . . . 0.0 112.57 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -96.4 115.41 27.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -141.3 5.42 1.86 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.99 48.62 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.189 1.376 . . . . 0.0 111.782 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.365 1.866 . . . . 0.0 112.713 -169.537 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.25 164.18 25.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.964 1.706 . . . . 0.0 110.891 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.47 165.16 31.49 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.752 1.221 . . . . 0.0 111.727 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.61 158.66 44.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.891 2.076 . . . . 0.0 110.569 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -154.0 158.39 40.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.307 1.443 . . . . 0.0 112.584 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -163.01 157.58 21.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.461 1.904 . . . . 0.0 110.926 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -152.23 -1.3 0.29 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.602 1.561 . . . . 0.0 114.23 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -164.72 108.03 0.89 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.802 1.183 . . . . 0.0 110.679 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.3 p -156.63 12.08 0.26 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -159.03 142.19 14.6 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.929 1.692 . . . . 0.0 111.224 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -162.76 171.05 17.36 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.141 1.776 . . . . 0.0 111.0 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 155.46 43.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.001 1.321 . . . . 0.0 112.942 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.77 150.12 38.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.184 1.393 . . . . 0.0 111.375 -169.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.96 157.29 43.89 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.27 1.428 . . . . 0.0 111.694 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -158.69 147.36 18.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.43 1.492 . . . . 0.0 111.428 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -159.92 129.9 5.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.59 1.556 . . . . 0.0 109.863 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -82.54 -19.13 39.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -169.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.77 2.31 46.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.265 1.026 . . . . 0.0 113.556 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -75.24 3.64 8.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.094 1.358 . . . . 0.0 114.436 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.13 138.93 17.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.098 1.759 . . . . 0.0 109.93 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -162.72 -178.61 6.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.276 1.43 . . . . 0.0 111.396 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.12 151.09 22.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.356 1.862 . . . . 0.0 110.097 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.38 39.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.673 1.189 . . . . 0.0 113.01 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -160.74 170.67 20.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.421 1.888 . . . . 0.0 110.657 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -131.66 124.21 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.235 1.814 . . . . 0.0 109.043 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.64 -5.18 58.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.309 1.443 . . . . 0.0 114.195 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.0 m -68.22 150.51 48.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.006 1.322 . . . . 0.0 113.169 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -153.38 139.59 18.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.577 1.551 . . . . 0.0 110.826 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -162.52 159.25 24.63 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.619 1.567 . . . . 0.0 111.546 -172.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -144.73 4.14 1.13 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.323 1.849 . . . . 0.0 113.61 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.01 155.66 40.27 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.678 1.191 . . . . 0.0 112.808 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 152.61 40.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.161 1.384 . . . . 0.0 111.877 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -146.12 154.67 50.57 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.193 1.797 . . . . 0.0 111.638 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.58 -12.34 24.63 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.606 2.871 . . . . 0.0 113.916 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -140.91 140.41 34.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.98 1.312 . . . . 0.0 111.657 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.88 16.31 Favored Glycine 0 CA--C 1.54 1.611 0 CA-C-O 118.221 -1.321 . . . . 0.0 111.831 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.07 -30.87 90.21 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.8 3.0 . . . . 0.0 114.203 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t70 68.76 5.57 5.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.891 2.077 . . . . 0.0 115.005 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.09 133.94 56.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.081 1.352 . . . . 0.0 113.2 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.47 145.07 53.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.507 1.123 . . . . 0.0 111.583 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -139.96 140.32 36.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.262 1.425 . . . . 0.0 111.445 -173.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -145.0 163.33 34.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.174 1.79 . . . . 0.0 111.857 -176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -80.11 -179.75 7.2 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.03 0.932 . . . . 0.0 112.518 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -158.09 148.23 20.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.088 1.755 . . . . 0.0 110.064 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.43 51.52 1.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.704 1.602 . . . . 0.0 112.927 -172.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -78.98 81.07 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.347 1.459 . . . . 0.0 110.842 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 54.86 -144.66 0.67 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.003 1.721 . . . . 0.0 111.54 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 66.99 -165.81 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.232 1.813 . . . . 0.0 111.959 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -120.27 12.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.055 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.88 5.07 72.09 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.013 1.292 . . . . 0.0 114.633 176.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -71.85 176.45 39.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.915 1.245 . . . . 0.0 114.176 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -160.49 -178.99 7.28 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.212 1.405 . . . . 0.0 112.288 -171.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -151.43 147.12 26.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.876 1.27 . . . . 0.0 111.979 -176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.24 139.86 30.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.244 . . . . 0.0 111.667 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -129.01 149.63 50.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.779 1.632 . . . . 0.0 111.159 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.99 -13.55 59.84 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.624 1.17 . . . . 0.0 112.838 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -67.27 160.07 27.85 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.37 1.468 . . . . 0.0 113.153 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -58.1 152.82 15.96 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 112.727 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.5 m 70.23 12.53 7.64 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.549 1.54 . . . . 0.0 114.287 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.44 -34.8 72.87 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.914 -1.116 . . . . 0.0 111.562 168.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 63.39 -170.75 0.18 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.932 2.093 . . . . 0.0 113.125 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -79.26 166.22 22.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.384 1.473 . . . . 0.0 113.481 -174.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.5 m -137.09 171.89 13.83 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.37 1.868 . . . . 0.0 110.804 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -145.85 149.47 34.36 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.796 -1.19 . . . . 0.0 112.24 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.3 163.11 22.68 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.407 2.283 . . . . 0.0 110.085 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.03 117.82 10.4 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.434 1.094 . . . . 0.0 111.211 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -161.48 126.32 3.5 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.428 1.491 . . . . 0.0 110.038 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -81.55 33.88 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.304 1.442 . . . . 0.0 113.922 -171.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.69 -19.18 63.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.054 1.341 . . . . 0.0 113.727 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -147.02 161.34 41.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.145 2.178 . . . . 0.0 110.273 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.54 133.0 49.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.115 1.366 . . . . 0.0 111.307 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.45 131.74 40.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.144 1.377 . . . . 0.0 112.142 173.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -83.63 76.67 9.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -106.27 -8.08 17.47 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.974 1.31 . . . . 0.0 114.378 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.58 15.59 70.59 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.155 1.359 . . . . 0.0 114.672 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.325 1.85 . . . . 0.0 112.507 -174.124 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.571 0.224 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -143.87 141.33 30.25 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.86 1.664 . . . . 0.0 109.847 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -161.24 -8.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.36 140.05 31.09 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.937 1.695 . . . . 0.0 112.117 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -96.09 69.25 2.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 110.149 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 69.72 -177.31 0.21 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.084 2.154 . . . . 0.0 112.683 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -145.59 136.1 24.17 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 0.0 110.035 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.85 127.16 31.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.874 0.869 . . . . 0.0 110.543 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -173.14 160.18 4.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.974 2.51 . . . . 0.0 110.024 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.37 150.74 21.93 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 112.518 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -150.93 12.77 0.69 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.443 1.497 . . . . 0.0 112.652 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 m -168.15 159.78 11.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.724 2.409 . . . . 0.0 110.422 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -158.86 172.08 18.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.524 1.53 . . . . 0.0 111.73 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -152.42 143.13 22.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.008 1.323 . . . . 0.0 111.047 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -162.78 -24.16 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.159 1.384 . . . . 0.0 114.533 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -163.92 144.77 8.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.978 1.711 . . . . 0.0 109.744 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -161.69 176.71 10.66 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.434 1.494 . . . . 0.0 111.389 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -160.43 149.01 16.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.226 1.81 . . . . 0.0 110.31 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -165.01 140.85 5.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.821 1.648 . . . . 0.0 112.024 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -81.15 144.02 31.96 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.237 1.015 . . . . 0.0 112.007 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.6 m -75.06 155.04 37.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.614 1.166 . . . . 0.0 113.415 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -142.03 150.68 41.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.039 1.736 . . . . 0.0 110.229 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.85 35.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.51 14.91 7.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.841 1.656 . . . . 0.0 113.64 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.6 m -63.5 143.07 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.376 1.471 . . . . 0.0 112.145 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . 0.282 1.6 p30 62.21 2.55 0.85 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.347 2.659 . . . . 0.0 116.409 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -65.62 154.17 39.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.914 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.7 -179.13 7.0 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.175 1.39 . . . . 0.0 113.464 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.94 147.92 37.03 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.943 1.697 . . . . 0.0 114.119 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -140.33 155.83 46.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.84 1.656 . . . . 0.0 111.63 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.38 117.09 8.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.313 1.045 . . . . 0.0 113.118 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.17 160.56 9.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.513 2.325 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 125.89 6.51 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 124.588 1.155 . . . . 0.0 112.511 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -85.92 -21.35 2.67 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.314 2.676 . . . . 0.0 112.968 176.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -150.45 176.43 10.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.359 1.864 . . . . 0.0 111.609 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.45 -148.58 16.78 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.766 1.651 . . . . 0.0 112.125 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.75 155.91 57.82 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 124.132 3.221 . . . . 0.0 111.489 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.22 -38.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.72 1.208 . . . . 0.0 112.989 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.65 155.33 35.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.595 1.958 . . . . 0.0 112.966 -176.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.95 160.67 14.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.281 1.832 . . . . 0.0 111.309 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.21 134.75 29.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.497 . . . . 0.0 110.687 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -80.62 -7.17 59.18 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -60.34 146.99 42.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.342 1.457 . . . . 0.0 113.391 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.42 164.48 20.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.141 0.976 . . . . 0.0 111.986 171.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 t80 66.47 16.67 10.48 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.918 1.687 . . . . 0.0 114.029 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -58.24 136.21 57.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.003 1.321 . . . . 0.0 112.25 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.9 167.66 21.02 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.746 1.218 . . . . 0.0 112.158 173.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -151.05 125.27 9.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 109.871 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.72 18.38 55.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.352 1.453 . . . . 0.0 114.712 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.33 155.39 53.04 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.823 1.201 . . . . 0.0 113.973 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.84 46.36 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.117 1.342 . . . . 0.0 114.012 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -146.5 161.97 39.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.587 1.555 . . . . 0.0 111.58 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -153.42 143.61 22.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.986 1.314 . . . . 0.0 111.433 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.17 163.22 33.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.817 1.647 . . . . 0.0 112.264 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -153.33 140.72 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.592 1.557 . . . . 0.0 110.614 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.5 tp -78.4 -39.55 38.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -87.58 99.33 11.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.567 0.699 . . . . 0.0 111.771 -174.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -89.41 -15.5 33.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.627 1.171 . . . . 0.0 113.8 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 m 66.12 179.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.864 2.066 . . . . 0.0 113.772 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -158.84 157.24 31.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.948 1.299 . . . . 0.0 112.842 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -84.89 158.14 20.67 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 111.626 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -161.57 136.38 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.9 1.68 . . . . 0.0 110.857 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.2 p -166.48 168.01 15.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.216 1.406 . . . . 0.0 112.217 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 m -165.37 147.86 7.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.694 1.997 . . . . 0.0 110.181 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -158.5 125.06 4.72 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.675 1.19 . . . . 0.0 110.546 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.4 1.58 30.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.738 1.615 . . . . 0.0 113.669 -169.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.53 170.13 18.1 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.242 1.017 . . . . 0.0 113.115 -171.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.0 m -141.32 168.44 19.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.92 1.288 . . . . 0.0 112.53 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -152.04 156.95 40.96 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.022 2.129 . . . . 0.0 109.099 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.08 153.97 39.6 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -167.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 158' ' ' GLN . 37.4 mt-10 -146.74 148.35 31.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.163 2.985 . . . . 0.0 106.858 169.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.47 -12.98 61.32 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 106' ' ' GLU . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -61.78 -15.33 40.45 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -83.22 -22.49 33.12 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.748 2.019 . . . . 0.0 113.453 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -102.35 -110.46 3.4 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 127.108 2.29 . . . . 0.0 111.092 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.454 1.902 . . . . 0.0 111.817 -176.004 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -161.72 158.71 26.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.813 1.645 . . . . 0.0 111.011 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -165.21 176.34 8.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.444 1.498 . . . . 0.0 111.956 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 152.52 42.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.007 1.723 . . . . 0.0 111.854 -173.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.38 172.14 9.94 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 111.099 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t0 75.74 149.03 0.1 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.054 2.542 . . . . 0.0 114.568 174.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 65.26 -61.56 0.23 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.178 2.991 . . . . 0.0 114.385 173.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -140.22 -16.91 0.93 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.287 1.835 . . . . 0.0 112.977 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -80.92 0.99 32.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.664 -1.272 . . . . 0.0 113.569 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.46 -8.61 59.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.512 1.525 . . . . 0.0 113.123 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.32 11.1 2.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.342 1.457 . . . . 0.0 113.287 -172.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -87.01 -0.33 56.45 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -78.33 138.06 38.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.359 1.064 . . . . 0.0 112.294 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -148.86 154.43 39.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.157 1.783 . . . . 0.0 110.915 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -67.63 142.65 56.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.802 0.841 . . . . 0.0 111.803 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -145.55 156.16 43.52 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.565 1.546 . . . . 0.0 111.377 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.4 t -162.04 174.64 12.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.24 95.12 2.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.445 1.498 . . . . 0.0 109.937 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 t -168.65 160.28 10.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.899 1.68 . . . . 0.0 111.09 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -161.79 125.61 3.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.257 1.823 . . . . 0.0 109.162 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.0 p -168.34 178.95 4.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.961 1.304 . . . . 0.0 112.342 -170.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.47 156.36 36.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.023 1.729 . . . . 0.0 110.252 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.43 171.17 20.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.001 1.32 . . . . 0.0 112.318 -172.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -155.95 166.92 32.05 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.326 1.851 . . . . 0.0 110.748 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.26 138.25 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.439 1.896 . . . . 0.0 109.418 -173.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -144.34 135.62 25.47 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.416 1.487 . . . . 0.0 110.941 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -168.62 -166.23 0.65 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.066 1.746 . . . . 0.0 110.639 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.09 146.51 30.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.368 1.867 . . . . 0.0 111.8 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -104.42 152.58 22.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.526 1.53 . . . . 0.0 113.462 -172.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.26 175.43 9.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.255 1.822 . . . . 0.0 110.661 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -156.6 138.29 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.895 1.678 . . . . 0.0 111.157 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.12 30.48 0.3 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.382 1.073 . . . . 0.0 113.577 -169.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -57.21 132.39 80.83 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 120.94 -1.1 . . . . 0.0 112.228 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.71 -17.07 12.69 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.313 2.675 . . . . 0.0 114.128 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -145.34 148.8 33.79 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.785 1.234 . . . . 0.0 112.531 -176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.11 -177.65 48.91 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.098 1.333 . . . . 0.0 113.094 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.65 155.59 49.52 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.83 3.02 . . . . 0.0 111.778 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -132.11 -18.76 2.59 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.102 1.361 . . . . 0.0 113.514 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 71.07 -24.71 0.17 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.356 2.662 . . . . 0.0 115.592 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.9 t80 67.43 161.88 0.18 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.311 2.644 . . . . 0.0 115.012 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -158.99 142.88 15.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.238 1.815 . . . . 0.0 111.609 172.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.79 160.76 28.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.131 0.973 . . . . 0.0 113.504 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -72.93 143.82 47.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.264 0.625 . . . . 0.0 109.465 167.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.36 134.86 9.5 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.375 -0.828 . . . . 0.0 111.242 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.99 150.79 32.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.144 1.778 . . . . 0.0 110.462 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -165.17 172.21 12.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.614 1.166 . . . . 0.0 112.141 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -65.69 92.8 0.15 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.578 1.151 . . . . 0.0 112.718 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -165.15 145.66 7.2 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.651 1.98 . . . . 0.0 108.643 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.26 114.11 6.51 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.39 -5.64 72.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.118 1.342 . . . . 0.0 114.544 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.69 -3.09 52.85 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.664 1.602 . . . . 0.0 114.436 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.6 p -84.19 -4.98 59.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.8 t30 76.14 134.45 0.06 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.493 2.717 . . . . 0.0 113.226 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -170.41 171.53 6.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.31 2.244 . . . . 0.0 111.838 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -126.46 164.37 21.28 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.205 1.402 . . . . 0.0 112.439 -170.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -166.33 104.16 0.63 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.837 2.055 . . . . 0.0 108.081 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -53.34 135.29 39.15 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.01 1.324 . . . . 0.0 112.733 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -166.97 -171.89 1.91 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.273 1.829 . . . . 0.0 110.293 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -59.81 127.23 30.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.951 1.3 . . . . 0.0 112.591 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -159.22 130.57 6.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.316 1.446 . . . . 0.0 110.321 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 65.9 t80 67.71 -53.79 0.5 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.165 2.586 . . . . 0.0 113.812 -173.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -165.99 145.82 6.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.121 2.168 . . . . 0.0 110.93 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.6 p -150.43 11.3 0.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.942 1.697 . . . . 0.0 112.851 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -88.47 141.49 28.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.681 -1.262 . . . . 0.0 112.987 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.38 128.7 5.37 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.601 1.561 . . . . 0.0 110.725 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -166.6 153.62 9.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.083 1.753 . . . . 0.0 110.137 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.36 -10.97 1.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.946 1.698 . . . . 0.0 113.004 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.7 m -128.46 148.24 50.72 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.643 -1.285 . . . . 0.0 112.747 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -90.36 146.34 24.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.959 1.304 . . . . 0.0 111.351 174.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.45 121.8 20.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.58 1.181 . . . . 0.0 113.565 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.29 1.15 38.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.324 1.85 . . . . 0.0 114.014 -169.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -152.88 168.7 24.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.718 1.607 . . . . 0.0 111.28 -169.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.0 126.98 32.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -138.81 8.49 2.56 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.008 1.323 . . . . 0.0 113.91 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.06 13.47 58.91 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.72 1.629 . . . . 0.0 114.087 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.571 1.948 . . . . 0.0 113.574 178.832 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.57 153.13 18.9 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.462 1.505 . . . . 0.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -167.23 176.79 6.52 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.966 1.706 . . . . 0.0 110.749 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -154.64 137.56 15.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 111.045 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -156.68 7.95 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.53 1.532 . . . . 0.0 113.998 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.62 -5.11 56.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.961 1.704 . . . . 0.0 113.37 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -82.13 3.76 25.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.243 1.817 . . . . 0.0 113.461 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -153.87 139.76 18.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.448 1.499 . . . . 0.0 110.464 -178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.9 p -161.11 154.94 22.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.249 1.42 . . . . 0.0 111.871 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -161.11 151.13 17.36 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.726 1.611 . . . . 0.0 111.217 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -157.17 137.85 13.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.602 1.561 . . . . 0.0 111.141 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -164.98 158.33 16.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.459 1.504 . . . . 0.0 110.934 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -160.79 172.59 16.75 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.669 1.588 . . . . 0.0 112.027 -174.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.36 158.7 43.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.699 1.599 . . . . 0.0 111.166 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -155.67 -171.68 3.86 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.494 1.518 . . . . 0.0 112.273 -172.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -147.26 141.11 25.79 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.29 1.436 . . . . 0.0 110.305 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -162.77 -175.06 4.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.109 1.763 . . . . 0.0 110.51 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -136.97 123.46 20.85 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.52 1.528 . . . . 0.0 110.454 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -133.41 -2.09 3.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.864 1.265 . . . . 0.0 114.174 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -148.92 145.87 27.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.942 2.097 . . . . 0.0 109.39 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t -164.29 164.35 22.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.123 1.369 . . . . 0.0 111.5 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.68 135.66 6.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 110.091 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.21 152.87 22.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.982 1.713 . . . . 0.0 111.051 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -164.13 158.7 19.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.558 1.543 . . . . 0.0 112.353 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -165.25 139.94 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.446 1.899 . . . . 0.0 109.54 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.08 166.61 23.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.589 1.556 . . . . 0.0 112.483 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -158.76 150.36 20.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.685 1.994 . . . . 0.0 110.257 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -159.48 160.15 34.34 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.327 1.451 . . . . 0.0 111.644 -175.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.32 145.82 49.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 0.0 112.846 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -161.77 146.91 13.25 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.079 1.352 . . . . 0.0 111.515 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.45 -6.14 58.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.761 1.224 . . . . 0.0 112.808 172.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.71 1.9 3.91 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.228 2.611 . . . . 0.0 114.981 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -150.39 150.08 28.12 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 126.442 1.897 . . . . 0.0 112.323 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -77.77 -25.28 7.92 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.191 2.594 . . . . 0.0 113.0 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -168.45 167.06 12.01 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.711 2.004 . . . . 0.0 111.441 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.32 158.93 27.85 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.233 1.397 . . . . 0.0 112.735 172.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.08 160.37 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.232 3.288 . . . . 0.0 112.044 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -158.32 146.82 18.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.667 1.587 . . . . 0.0 111.751 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.65 8.84 1.97 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.405 1.482 . . . . 0.0 114.091 -172.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -69.77 127.68 33.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.83 1.252 . . . . 0.0 112.081 -171.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -82.53 151.09 26.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.378 1.071 . . . . 0.0 113.406 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -153.01 6.07 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.146 1.378 . . . . 0.0 114.455 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.4 p -173.76 -178.98 1.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.883 2.073 . . . . 0.0 110.324 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.23 165.32 37.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.882 1.273 . . . . 0.0 112.031 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -154.93 149.97 26.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.601 1.961 . . . . 0.0 109.679 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -141.81 157.12 45.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.878 1.271 . . . . 0.0 111.693 -169.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.55 163.42 11.17 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.797 1.239 . . . . 0.0 114.308 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -69.55 160.64 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.036 0.934 . . . . 0.0 111.994 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.1 -166.29 14.78 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.552 1.549 . . . . 0.0 112.623 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.47 124.18 6.77 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.967 0.794 . . . . 0.0 111.965 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.15 -11.21 61.56 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.649 1.119 . . . . 0.0 114.689 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 m -70.6 134.25 47.44 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.38 1.09 . . . . 0.0 112.364 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -64.1 140.58 58.88 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.967 0.907 . . . . 0.0 112.329 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -114.65 130.6 56.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 0.0 111.181 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -164.06 164.74 22.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.76 1.624 . . . . 0.0 111.377 -172.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.86 34.26 0.6 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.991 1.316 . . . . 0.0 111.417 -176.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.33 124.36 21.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.337 1.055 . . . . 0.0 111.752 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -167.71 173.71 8.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.963 1.705 . . . . 0.0 110.672 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.7 p -163.17 154.99 17.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.559 1.543 . . . . 0.0 111.974 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -165.62 158.99 16.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.623 1.569 . . . . 0.0 112.224 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -161.71 145.2 12.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.809 1.644 . . . . 0.0 111.675 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -162.48 146.49 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.151 1.781 . . . . 0.0 111.393 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -167.29 161.23 14.17 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.131 1.772 . . . . 0.0 110.128 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 m -164.01 154.02 14.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.882 1.673 . . . . 0.0 111.32 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -165.14 164.98 20.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.178 1.791 . . . . 0.0 111.662 -175.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.73 118.9 3.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.447 1.499 . . . . 0.0 109.264 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.45 158.58 13.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.142 1.777 . . . . 0.0 110.006 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.9 p -74.64 162.77 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.822 1.249 . . . . 0.0 114.001 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -159.02 157.21 30.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.998 1.719 . . . . 0.0 111.77 -169.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.82 151.88 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 112.35 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.83 152.55 8.01 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.506 1.922 . . . . 0.0 110.657 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.83 86.2 4.76 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -119.64 0.09 10.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.479 1.511 . . . . 0.0 114.363 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.71 28.42 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.28 1.419 . . . . 0.0 113.875 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.25 1.82 . . . . 0.0 112.644 -173.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 111.144 0.053 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.53 167.29 21.59 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.984 1.714 . . . . 0.0 111.073 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -136.86 151.15 48.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.062 1.345 . . . . 0.0 111.624 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -158.79 167.58 29.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.758 1.623 . . . . 0.0 111.647 -173.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 tp -150.66 128.24 11.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.758 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -165.11 163.19 20.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.028 1.731 . . . . 0.0 110.92 -172.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -154.59 145.79 22.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.897 1.279 . . . . 0.0 110.474 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.83 38.98 0.34 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.896 1.679 . . . . 0.0 113.032 -174.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 159.05 30.15 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.577 1.551 . . . . 0.0 112.84 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -153.43 152.94 31.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.249 1.42 . . . . 0.0 112.299 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -163.55 156.55 18.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.494 1.918 . . . . 0.0 110.726 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -160.71 160.28 31.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.603 1.161 . . . . 0.0 112.15 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -75.23 162.17 28.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.212 1.405 . . . . 0.0 112.973 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -153.43 149.72 28.06 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.41 1.484 . . . . 0.0 111.399 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -161.97 167.65 24.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.203 1.801 . . . . 0.0 111.538 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -141.27 152.28 44.38 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.64 1.576 . . . . 0.0 110.542 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -64.89 136.81 57.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.3 1.04 . . . . 0.0 113.027 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -75.8 152.32 37.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.251 1.02 . . . . 0.0 112.581 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -163.62 161.54 23.81 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.619 1.568 . . . . 0.0 110.994 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -162.45 144.46 10.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.709 1.604 . . . . 0.0 110.432 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 m -76.41 54.72 0.94 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.727 1.611 . . . . 0.0 113.059 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.28 146.32 55.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.407 1.483 . . . . 0.0 112.437 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.39 157.04 34.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.758 1.623 . . . . 0.0 111.558 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.01 150.93 33.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.947 1.299 . . . . 0.0 113.048 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.29 156.36 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.697 1.999 . . . . 0.0 110.461 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.04 158.27 34.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 111.372 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.4 m -96.02 140.87 30.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.968 1.307 . . . . 0.0 113.219 -172.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.59 150.24 26.99 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.821 1.248 . . . . 0.0 111.762 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -156.59 143.06 18.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.158 1.383 . . . . 0.0 111.766 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 t -164.15 169.31 17.91 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.812 1.645 . . . . 0.0 111.169 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -159.26 147.99 18.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.903 1.681 . . . . 0.0 111.721 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.42 153.23 26.87 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.743 1.617 . . . . 0.0 111.325 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.95 119.99 42.71 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.959 1.304 . . . . 0.0 112.488 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -85.0 -30.65 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.155 2.57 . . . . 0.0 112.639 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -171.07 -27.14 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.607 1.963 . . . . 0.0 113.209 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.58 177.36 20.72 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.426 1.488 . . . . 0.0 115.032 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.65 176.76 9.52 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 124.507 3.471 . . . . 0.0 112.246 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.53 142.84 25.19 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.778 1.631 . . . . 0.0 110.832 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -70.66 153.39 42.88 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.565 1.146 . . . . 0.0 113.7 -170.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.7 150.64 36.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.509 1.124 . . . . 0.0 112.847 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -97.71 20.06 12.58 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.297 1.439 . . . . 0.0 112.701 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.7 173.49 4.25 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.02 2.128 . . . . 0.0 113.021 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t 70.59 -160.54 0.15 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.143 1.777 . . . . 0.0 112.196 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.18 150.14 31.19 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.644 1.578 . . . . 0.0 111.822 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.28 118.9 13.95 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.679 1.592 . . . . 0.0 108.609 -175.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -139.84 150.22 44.4 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.186 1.395 . . . . 0.0 112.121 -167.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -72.26 169.7 15.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.076 1.35 . . . . 0.0 112.462 175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.63 139.16 58.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.871 0.868 . . . . 0.0 110.922 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.48 169.86 43.76 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.432 1.015 . . . . 0.0 113.983 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.79 8.13 74.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.392 1.472 . . . . 0.0 114.904 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.17 -132.03 25.43 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.631 1.216 . . . . 0.0 111.425 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -72.21 -9.49 58.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.2 t30 60.65 23.48 13.28 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.26 1.824 . . . . 0.0 113.571 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -76.59 168.41 20.12 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.339 1.456 . . . . 0.0 114.195 -174.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -156.16 165.8 35.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.506 1.923 . . . . 0.0 110.428 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 tp -131.27 76.16 1.7 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.074 1.35 . . . . 0.0 110.391 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.08 140.0 39.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -90.38 126.28 35.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.528 0.731 . . . . 0.0 109.668 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -152.78 10.38 0.47 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -169.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -154.32 124.79 6.98 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.14 -0.975 . . . . 0.0 112.649 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -164.63 157.19 16.59 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.216 2.206 . . . . 0.0 110.787 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.25 -43.76 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.764 1.226 . . . . 0.0 112.654 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 -169.13 1.2 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.521 1.528 . . . . 0.0 110.993 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -155.91 152.82 28.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.33 1.852 . . . . 0.0 111.526 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -75.3 159.14 31.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.64 1.176 . . . . 0.0 113.269 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.21 155.16 40.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.697 1.599 . . . . 0.0 112.71 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.87 152.38 42.65 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -159.09 -178.89 7.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.377 1.471 . . . . 0.0 111.354 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -155.88 134.06 11.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.071 1.748 . . . . 0.0 111.264 -173.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -68.2 145.7 54.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.996 1.318 . . . . 0.0 112.781 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -84.99 18.55 2.44 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.302 1.441 . . . . 0.0 112.499 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.55 121.83 21.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.466 1.506 . . . . 0.0 112.387 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.24 59.27 1.0 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -86.59 -35.54 19.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.521 1.528 . . . . 0.0 113.39 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -106.47 -2.55 37.89 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.158 1.361 . . . . 0.0 115.062 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.909 1.684 . . . . 0.0 113.142 -176.324 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.187 0.069 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -161.12 142.42 11.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.537 1.535 . . . . 0.0 110.009 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -160.13 161.84 33.85 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.1 1.36 . . . . 0.0 112.042 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.03 167.98 23.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.053 1.741 . . . . 0.0 111.28 -174.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.9 tp -151.13 121.54 7.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.272 1.429 . . . . 0.0 109.897 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.55 131.07 44.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 111.591 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -168.18 156.98 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.302 1.441 . . . . 0.0 111.131 -170.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -163.04 156.38 19.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.803 1.641 . . . . 0.0 110.945 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -165.5 178.72 6.56 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.576 1.551 . . . . 0.0 111.234 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -158.0 152.39 24.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.683 1.993 . . . . 0.0 111.558 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -163.53 163.64 24.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.665 1.586 . . . . 0.0 112.329 -171.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 m -150.19 156.75 42.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.592 1.557 . . . . 0.0 111.235 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.08 148.12 48.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.356 1.462 . . . . 0.0 110.805 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -135.5 13.74 3.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.617 1.167 . . . . 0.0 113.191 -169.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -70.37 106.86 3.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.033 0.933 . . . . 0.0 110.652 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -166.85 157.2 11.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.292 1.837 . . . . 0.0 109.484 -170.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -148.65 159.64 43.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.601 1.16 . . . . 0.0 111.563 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -162.06 151.2 15.67 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.348 1.859 . . . . 0.0 109.782 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -70.11 124.78 24.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 112.67 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.39 119.19 3.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.716 1.606 . . . . 0.0 108.95 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 p -170.91 168.17 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.187 1.395 . . . . 0.0 111.894 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.97 146.63 35.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.989 0.916 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 150.39 48.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.198 0.999 . . . . 0.0 113.137 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -159.22 162.02 36.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.345 1.858 . . . . 0.0 110.77 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -163.77 140.59 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.911 1.685 . . . . 0.0 110.672 -173.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.19 135.8 36.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.672 1.189 . . . . 0.0 111.881 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -145.72 151.44 38.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.027 1.331 . . . . 0.0 111.879 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.49 148.77 19.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.915 1.686 . . . . 0.0 110.934 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -158.06 139.52 13.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.579 1.551 . . . . 0.0 111.299 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.0 168.65 17.24 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.459 1.504 . . . . 0.0 111.247 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.8 143.41 14.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.306 1.842 . . . . 0.0 111.142 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.55 148.27 19.48 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.272 1.429 . . . . 0.0 111.683 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.57 147.52 98.71 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 124.148 0.979 . . . . 0.0 112.983 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.54 -19.58 14.63 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.412 2.741 . . . . 0.0 113.762 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -147.59 147.76 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.986 1.314 . . . . 0.0 112.173 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.97 178.4 48.28 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.843 1.211 . . . . 0.0 113.11 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.75 144.95 50.17 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.774 2.983 . . . . 0.0 110.933 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -162.43 144.44 10.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.268 1.427 . . . . 0.0 111.242 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -123.95 126.96 47.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.227 1.411 . . . . 0.0 110.659 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -155.29 142.16 19.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 109.809 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 154.21 16.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.575 1.55 . . . . 0.0 112.559 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -70.27 162.79 27.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.462 1.105 . . . . 0.0 112.321 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -152.31 172.2 16.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.106 0.963 . . . . 0.0 112.442 -174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.72 157.9 14.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.723 2.009 . . . . 0.0 109.775 -172.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -147.91 109.84 4.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.568 1.147 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -164.75 149.35 9.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.123 1.769 . . . . 0.0 110.675 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -151.75 177.59 10.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.033 1.733 . . . . 0.0 111.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -79.63 70.71 6.17 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.561 1.144 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.74 -0.25 69.35 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.323 1.44 . . . . 0.0 114.424 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.03 -152.06 21.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.602 1.572 . . . . 0.0 113.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.4 -137.7 14.51 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.682 1.134 . . . . 0.0 112.066 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -159.65 164.05 34.39 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.149 1.379 . . . . 0.0 111.463 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -158.44 146.69 18.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.727 1.611 . . . . 0.0 111.289 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -159.28 170.88 20.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.884 1.674 . . . . 0.0 112.517 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -137.58 158.49 44.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.278 1.431 . . . . 0.0 111.788 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.9 tp -84.13 -1.73 55.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.213 1.405 . . . . 0.0 113.604 -175.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.43 148.96 26.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.74 1.216 . . . . 0.0 113.468 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -132.5 -163.82 1.39 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.593 1.557 . . . . 0.0 110.987 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -161.23 176.92 10.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.938 1.695 . . . . 0.0 111.782 -176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.76 176.55 12.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.868 1.667 . . . . 0.0 112.65 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.32 179.4 6.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.81 1.644 . . . . 0.0 112.287 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -155.31 146.98 23.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.116 1.766 . . . . 0.0 111.096 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.1 m -76.29 108.62 9.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.164 0.986 . . . . 0.0 111.444 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.1 p -84.03 170.36 13.99 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.072 1.349 . . . . 0.0 113.747 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -150.75 145.05 25.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.699 1.6 . . . . 0.0 111.068 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.74 -7.85 58.16 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.86 67.75 1.51 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.853 1.261 . . . . 0.0 111.24 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.2 p -157.68 -99.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.081 1.352 . . . . 0.0 111.164 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.9 t70 65.88 -56.68 0.35 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 129.784 3.234 . . . . 0.0 114.732 173.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.78 -8.6 1.63 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.952 2.101 . . . . 0.0 112.671 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -84.92 -170.48 3.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.091 1.757 . . . . 0.0 110.888 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -56.12 143.6 32.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.736 1.214 . . . . 0.0 112.804 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -75.29 29.26 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -74.6 -11.25 60.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.204 1.802 . . . . 0.0 114.718 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.02 4.44 55.44 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.767 1.651 . . . . 0.0 115.12 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.333 1.853 . . . . 0.0 111.959 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.427 -0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 68.78 172.13 0.29 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.884 2.074 . . . . 0.0 112.785 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -160.52 161.56 32.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.226 1.41 . . . . 0.0 111.394 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.55 169.68 19.86 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.623 1.969 . . . . 0.0 111.25 -172.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.98 160.55 43.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.675 1.59 . . . . 0.0 111.91 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -162.36 166.74 24.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.633 1.573 . . . . 0.0 112.353 -172.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -162.72 176.58 10.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.243 1.817 . . . . 0.0 110.523 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -77.34 44.83 0.44 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.753 1.621 . . . . 0.0 113.087 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -72.19 152.22 42.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.762 -1.211 . . . . 0.0 112.63 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -157.21 160.19 38.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.702 1.601 . . . . 0.0 110.909 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -151.47 1.61 0.39 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.316 2.246 . . . . 0.0 113.332 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.2 m -81.88 16.74 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.954 1.302 . . . . 0.0 114.061 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -61.83 152.73 30.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.604 1.562 . . . . 0.0 113.21 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -157.04 158.98 37.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.839 1.656 . . . . 0.0 111.173 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.05 125.02 11.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.231 1.412 . . . . 0.0 110.694 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -89.18 -14.91 35.0 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.839 1.255 . . . . 0.0 112.849 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -73.19 137.38 45.02 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.567 -1.333 . . . . 0.0 112.766 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -160.16 142.61 13.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.886 1.674 . . . . 0.0 109.575 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -162.54 154.52 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.93 1.692 . . . . 0.0 111.19 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -161.67 149.5 14.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.009 1.724 . . . . 0.0 109.604 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -67.05 147.7 52.85 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.43 -0.793 . . . . 0.0 112.688 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -158.81 149.14 19.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.609 1.564 . . . . 0.0 110.426 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.64 -175.65 5.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.942 1.697 . . . . 0.0 111.53 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.06 150.54 48.3 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.959 1.304 . . . . 0.0 113.323 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.05 141.29 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.61 1.964 . . . . 0.0 108.766 -175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.27 165.89 33.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.341 1.456 . . . . 0.0 112.407 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.6 p -159.12 168.03 27.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.472 1.509 . . . . 0.0 112.087 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -156.49 150.53 25.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.602 1.561 . . . . 0.0 111.402 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -157.59 140.28 14.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.566 1.547 . . . . 0.0 111.387 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.3 p -166.55 171.29 11.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 111.729 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.56 122.04 8.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.829 1.251 . . . . 0.0 111.367 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.36 8.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.306 2.242 . . . . 0.0 110.627 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -145.58 143.63 20.47 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.807 1.243 . . . . 0.0 112.431 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.88 -25.67 4.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.261 2.641 . . . . 0.0 112.93 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -171.6 173.86 4.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.712 2.005 . . . . 0.0 111.602 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.91 150.88 26.29 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.661 1.6 . . . . 0.0 113.494 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.83 168.42 22.31 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.083 3.189 . . . . 0.0 112.971 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -161.16 142.05 11.39 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.903 2.081 . . . . 0.0 109.982 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -163.07 154.16 17.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.863 1.265 . . . . 0.0 113.159 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -79.98 159.98 26.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.954 1.302 . . . . 0.0 112.28 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -123.88 171.43 9.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.736 1.615 . . . . 0.0 111.943 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.62 154.67 24.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.355 1.062 . . . . 0.0 112.917 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -162.17 -178.43 6.36 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.227 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -157.22 169.51 24.6 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.959 1.703 . . . . 0.0 111.122 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -150.09 109.13 3.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.616 1.166 . . . . 0.0 110.328 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -152.21 174.56 13.61 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.862 2.065 . . . . 0.0 110.863 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 69.77 21.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.298 1.839 . . . . 0.0 114.492 170.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -74.34 153.33 39.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.278 1.031 . . . . 0.0 111.115 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.88 -135.01 13.95 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.063 0.84 . . . . 0.0 112.564 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.29 173.88 35.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.188 1.375 . . . . 0.0 113.696 -177.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.69 -173.49 49.52 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.005 1.288 . . . . 0.0 114.03 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.6 p -82.47 -8.46 59.62 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.975 1.31 . . . . 0.0 114.336 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.8 t30 65.76 12.1 8.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.864 2.065 . . . . 0.0 114.156 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.31 145.44 54.21 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.794 -1.191 . . . . 0.0 112.512 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -77.5 164.11 25.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.479 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.9 tp -127.4 18.13 6.98 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.446 1.498 . . . . 0.0 112.396 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -65.04 144.68 57.11 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.407 1.083 . . . . 0.0 112.021 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.7 p -164.83 169.25 16.87 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 0.0 112.066 -174.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -65.05 146.24 55.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.58 1.152 . . . . 0.0 113.382 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -156.8 158.21 36.4 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 0.0 111.459 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -153.3 158.65 41.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 112.712 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.22 126.52 5.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.335 2.254 . . . . 0.0 108.585 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.5 p -79.43 154.02 29.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.29 164.47 26.23 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.16 0.984 . . . . 0.0 112.573 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -149.02 158.33 44.1 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.29 1.436 . . . . 0.0 111.485 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.13 42.13 0.63 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.499 1.92 . . . . 0.0 112.892 -171.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -156.14 126.18 6.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.839 1.655 . . . . 0.0 109.996 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 t -172.28 139.81 1.07 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.906 1.682 . . . . 0.0 110.666 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -102.9 125.08 49.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.675 1.59 . . . . 0.0 111.0 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.62 117.92 23.49 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.857 0.863 . . . . 0.0 110.685 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -162.32 136.95 6.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.189 1.396 . . . . 0.0 110.394 -174.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.81 26.8 2.27 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.782 1.633 . . . . 0.0 113.295 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.38 86.99 3.15 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -104.87 -5.0 21.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.404 1.481 . . . . 0.0 113.792 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.89 4.64 85.62 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.034 1.778 . . . . 0.0 115.692 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.871 1.668 . . . . 0.0 112.507 -178.624 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -82.9 137.23 34.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.786 1.234 . . . . 0.0 110.759 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -147.2 144.02 28.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.303 1.441 . . . . 0.0 111.107 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.28 149.47 33.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.659 1.584 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -156.78 128.75 7.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.551 1.54 . . . . 0.0 109.99 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -164.67 145.67 7.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.994 1.717 . . . . 0.0 110.774 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -162.69 163.42 26.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.357 1.463 . . . . 0.0 110.837 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -64.04 120.81 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.607 1.163 . . . . 0.0 110.455 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -164.25 139.86 6.06 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.281 1.432 . . . . 0.0 111.359 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -163.16 132.76 4.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.191 1.796 . . . . 0.0 110.274 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -164.45 147.04 8.86 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.337 1.455 . . . . 0.0 111.636 -174.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -162.76 143.17 9.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.504 1.521 . . . . 0.0 110.665 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -74.89 142.31 44.08 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.759 0.824 . . . . 0.0 112.326 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -160.56 126.19 3.94 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 110.411 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.16 131.26 42.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.676 0.79 . . . . 0.0 110.531 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -148.36 146.71 28.63 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.287 1.035 . . . . 0.0 111.571 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -159.19 -174.6 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.614 1.965 . . . . 0.0 109.962 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.63 151.31 28.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.918 1.287 . . . . 0.0 112.637 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.4 t -168.03 -178.21 3.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.796 2.038 . . . . 0.0 110.26 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -155.47 126.55 7.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.539 1.535 . . . . 0.0 110.007 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -167.44 178.28 5.55 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.864 1.666 . . . . 0.0 111.0 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -158.44 134.9 9.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.378 1.871 . . . . 0.0 109.652 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.49 165.02 35.59 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.17 1.388 . . . . 0.0 112.43 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -159.82 168.98 24.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.889 2.076 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.12 110.43 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.751 1.62 . . . . 0.0 109.448 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -169.86 145.93 3.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.286 2.235 . . . . 0.0 110.133 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.9 p -163.86 -55.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.131 0.972 . . . . 0.0 112.937 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -164.44 143.81 7.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.868 1.667 . . . . 0.0 111.534 -176.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.7 137.06 7.51 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.976 1.711 . . . . 0.0 110.937 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -167.45 154.36 8.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 111.122 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -158.43 135.56 9.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.639 1.576 . . . . 0.0 110.928 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.78 167.29 17.11 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.89 97.86 7.04 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.968 1.307 . . . . 0.0 110.92 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -84.21 -21.13 3.88 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.476 2.784 . . . . 0.0 113.48 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -168.39 178.44 4.87 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 112.125 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.76 172.09 26.63 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.944 1.735 . . . . 0.0 113.718 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.03 142.69 99.65 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 124.276 3.317 . . . . 0.0 112.892 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -145.34 6.04 1.1 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.806 1.242 . . . . 0.0 113.179 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.57 178.47 7.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.886 1.674 . . . . 0.0 113.887 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -147.45 146.68 29.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.968 1.707 . . . . 0.0 110.005 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -158.53 152.56 23.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.772 1.629 . . . . 0.0 112.006 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -158.4 150.53 21.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.391 1.476 . . . . 0.0 111.5 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -161.1 170.88 19.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.455 1.502 . . . . 0.0 111.97 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -71.71 146.77 47.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.265 1.026 . . . . 0.0 112.079 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -137.9 -1.57 1.99 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.58 114.39 12.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 110.055 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -82.59 174.95 10.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.05 1.34 . . . . 0.0 112.619 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -73.44 157.06 37.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.771 0.828 . . . . 0.0 111.758 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.38 142.05 5.74 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.542 1.544 . . . . 0.0 113.0 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.64 141.73 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.641 1.115 . . . . 0.0 113.094 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.29 74.34 2.46 Favored Glycine 0 N--CA 1.47 0.909 0 C-N-CA 124.968 1.27 . . . . 0.0 111.653 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -159.5 -53.63 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.361 1.065 . . . . 0.0 112.481 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.8 t30 58.31 27.34 15.14 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.319 1.448 . . . . 0.0 113.68 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.09 -11.75 58.03 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -172.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.38 104.37 12.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.113 1.365 . . . . 0.0 109.733 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -156.38 8.5 0.22 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.943 1.297 . . . . 0.0 114.384 -170.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.94 159.99 32.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.499 1.12 . . . . 0.0 113.799 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 m -114.35 10.41 17.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.734 1.214 . . . . 0.0 113.523 -172.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -63.61 118.71 8.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.907 1.283 . . . . 0.0 112.426 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -164.0 153.53 14.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.829 1.652 . . . . 0.0 110.748 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.68 -21.38 64.39 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.69 4.84 10.04 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.405 1.482 . . . . 0.0 113.812 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -87.71 -2.16 58.43 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.642 -1.286 . . . . 0.0 114.173 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 m -67.85 142.44 56.13 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.916 1.286 . . . . 0.0 113.047 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.01 149.54 35.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.028 1.331 . . . . 0.0 113.006 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -153.74 22.89 0.52 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.659 1.183 . . . . 0.0 112.322 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.42 154.76 42.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.253 1.821 . . . . 0.0 110.558 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -163.83 -163.85 0.84 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.444 1.498 . . . . 0.0 111.255 -174.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 74.13 18.45 3.15 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.719 2.408 . . . . 0.0 114.291 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.48 147.82 41.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.947 1.699 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.15 151.89 28.03 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.721 1.209 . . . . 0.0 111.734 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -154.3 120.34 5.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.72 1.208 . . . . 0.0 111.715 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -78.28 63.88 3.28 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -90.31 -7.42 53.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.284 1.434 . . . . 0.0 114.245 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.2 17.66 66.48 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.929 1.252 . . . . 0.0 114.3 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.367 1.867 . . . . 0.0 112.567 -173.486 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -81.89 158.35 24.01 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.114 0.966 . . . . 0.0 111.607 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.4 p -160.6 166.84 28.25 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.097 1.359 . . . . 0.0 112.05 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.31 164.63 36.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.018 1.727 . . . . 0.0 111.334 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.32 170.16 23.09 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.911 1.685 . . . . 0.0 112.145 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -156.25 146.8 21.73 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.775 1.63 . . . . 0.0 111.011 -176.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.82 158.88 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.195 1.398 . . . . 0.0 111.439 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -112.65 141.01 46.94 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.226 1.41 . . . . 0.0 110.51 173.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 76.0 p -161.09 163.16 31.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.55 1.54 . . . . 0.0 111.868 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -161.2 155.09 22.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.549 1.54 . . . . 0.0 112.192 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.17 127.45 32.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.828 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -164.68 170.79 15.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.505 1.522 . . . . 0.0 111.495 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.4 151.38 44.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.66 1.584 . . . . 0.0 111.797 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -71.1 152.26 43.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.696 1.198 . . . . 0.0 112.443 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -101.31 -1.54 33.3 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.166 1.387 . . . . 0.0 114.198 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.78 128.69 37.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.775 1.23 . . . . 0.0 111.192 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 t -165.26 162.83 20.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.707 1.603 . . . . 0.0 110.74 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -147.25 139.04 24.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.913 1.685 . . . . 0.0 110.216 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.3 t -150.03 -8.92 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.407 1.083 . . . . 0.0 113.901 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.87 -3.85 55.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.012 1.725 . . . . 0.0 113.876 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -69.73 136.76 51.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.109 1.364 . . . . 0.0 113.363 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -144.59 150.59 37.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.028 1.731 . . . . 0.0 110.127 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.39 156.36 32.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.316 1.446 . . . . 0.0 111.769 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.71 168.84 22.59 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.222 1.809 . . . . 0.0 110.907 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.95 150.76 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 111.013 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -134.4 8.71 3.68 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.24 1.416 . . . . 0.0 114.125 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 p -89.21 151.69 22.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.211 1.404 . . . . 0.0 113.16 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.07 160.37 24.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.889 1.676 . . . . 0.0 112.138 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -160.32 142.2 12.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.926 1.69 . . . . 0.0 111.22 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 m -146.2 6.29 0.99 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -157.65 123.06 4.54 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 111.825 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.95 -6.52 57.2 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.04 126.45 92.67 Favored Pre-proline 0 CA--C 1.552 1.024 0 O-C-N 121.129 -0.982 . . . . 0.0 111.336 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.65 -38.79 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.694 2.263 . . . . 0.0 112.163 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -174.99 -22.62 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.834 2.053 . . . . 0.0 113.987 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.75 87.21 1.81 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.326 1.441 . . . . 0.0 111.203 -176.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 -28.32 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.467 2.778 . . . . 0.0 114.284 -171.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -163.51 151.15 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.106 1.362 . . . . 0.0 111.867 -170.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -126.88 134.89 50.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.645 1.578 . . . . 0.0 111.382 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -69.22 146.23 52.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.401 1.08 . . . . 0.0 112.725 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -92.61 170.53 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.021 1.328 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.71 8.9 2.39 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m 64.09 -155.58 0.31 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.384 1.474 . . . . 0.0 113.21 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -158.5 167.55 29.32 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.239 1.815 . . . . 0.0 110.932 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -137.73 155.32 49.2 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.03 1.332 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -79.04 85.46 4.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.545 1.138 . . . . 0.0 111.633 -175.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.87 -13.4 24.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -71.85 -8.45 54.41 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.253 1.421 . . . . 0.0 113.911 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.02 37.26 3.19 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.799 1.19 . . . . 0.0 113.576 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.25 -156.73 20.42 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.651 1.12 . . . . 0.0 113.564 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.68 167.79 46.84 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.601 1.096 . . . . 0.0 113.926 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.7 m -148.19 157.02 43.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.007 1.723 . . . . 0.0 110.885 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.02 151.48 19.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.435 1.094 . . . . 0.0 112.873 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -146.21 140.62 26.71 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.605 1.962 . . . . 0.0 110.235 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.98 139.19 28.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.916 1.286 . . . . 0.0 111.405 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.4 tp -91.29 -19.52 22.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.707 1.203 . . . . 0.0 113.081 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 tttp 74.22 146.61 0.09 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 128.264 2.626 . . . . 0.0 112.847 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -68.66 -14.63 63.14 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -132.39 131.34 41.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.249 1.82 . . . . 0.0 108.532 170.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -155.63 137.53 14.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.583 1.153 . . . . 0.0 110.566 -169.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -140.03 141.89 36.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.055 1.342 . . . . 0.0 111.859 -172.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -73.76 145.08 45.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.608 1.163 . . . . 0.0 112.781 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.1 p -126.68 5.91 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.27 1.428 . . . . 0.0 113.655 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.2 m -70.75 147.99 48.41 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.08 1.352 . . . . 0.0 113.389 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.67 114.3 15.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.161 0.984 . . . . 0.0 111.327 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.8 -15.66 63.73 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.531 1.132 . . . . 0.0 113.208 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.29 10.43 27.35 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.881 1.672 . . . . 0.0 112.481 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -141.05 177.98 7.69 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.538 1.535 . . . . 0.0 112.185 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -155.74 132.83 10.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.272 1.829 . . . . 0.0 110.128 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -85.29 -10.28 56.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.791 1.236 . . . . 0.0 112.827 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -110.07 164.54 12.53 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.399 1.88 . . . . 0.0 111.532 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.51 13.67 0.74 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.592 1.557 . . . . 0.0 114.436 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.93 36.25 0.22 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -74.59 -16.61 60.79 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.513 -1.367 . . . . 0.0 114.632 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.57 10.15 86.44 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.744 1.164 . . . . 0.0 114.324 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.562 1.945 . . . . 0.0 113.486 -178.248 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.64 151.16 37.82 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.995 0.918 . . . . 0.0 111.5 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -160.62 156.59 25.84 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.118 1.367 . . . . 0.0 111.283 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -149.37 159.85 43.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.473 1.909 . . . . 0.0 110.795 -173.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.66 132.06 15.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.318 1.447 . . . . 0.0 110.284 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.92 156.02 19.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.288 1.835 . . . . 0.0 110.751 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.8 132.57 8.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.954 1.302 . . . . 0.0 110.229 -176.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.68 123.89 29.7 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 109.612 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 m -166.74 172.9 10.06 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.317 1.847 . . . . 0.0 111.153 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -146.24 144.72 30.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.591 1.556 . . . . 0.0 111.325 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -161.04 164.41 30.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.166 1.786 . . . . 0.0 111.132 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -154.71 161.67 41.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.705 1.202 . . . . 0.0 112.506 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.88 16.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.308 1.843 . . . . 0.0 112.517 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -151.43 158.13 43.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.626 . . . . 0.0 111.646 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -162.55 159.29 24.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.242 1.417 . . . . 0.0 111.653 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.37 137.48 34.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.956 1.702 . . . . 0.0 109.726 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -80.32 -10.75 59.76 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.65 25.84 15.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.197 1.799 . . . . 0.0 113.246 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -61.81 140.45 58.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.445 1.498 . . . . 0.0 113.863 -173.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -153.84 51.09 0.68 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.288 1.435 . . . . 0.0 109.808 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.77 4.86 15.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.09 1.356 . . . . 0.0 114.462 -170.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.65 18.09 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.42 1.888 . . . . 0.0 109.523 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.82 1.36 54.13 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.202 1.401 . . . . 0.0 114.247 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.15 58.95 0.1 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.37 2.668 . . . . 0.0 111.342 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.74 135.84 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.165 1.786 . . . . 0.0 110.093 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -155.53 172.82 17.62 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.725 1.61 . . . . 0.0 112.498 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -122.9 19.87 10.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.121 1.368 . . . . 0.0 113.077 -175.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -116.05 -31.29 5.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.425 1.49 . . . . 0.0 113.065 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.286 2.7 p30 48.05 -98.43 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.163 2.585 . . . . 0.0 115.043 171.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -132.23 19.23 4.44 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.185 1.794 . . . . 0.0 112.84 -174.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.01 134.46 57.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.615 1.166 . . . . 0.0 112.834 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 170.84 19.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.779 1.632 . . . . 0.0 111.942 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -52.85 117.1 10.32 Favored Pre-proline 0 CA--C 1.557 1.231 0 C-N-CA 125.419 1.488 . . . . 0.0 112.581 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -66.31 -27.18 48.07 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.144 2.562 . . . . 0.0 114.436 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -90.14 -6.63 55.17 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.38 -159.32 53.58 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.505 1.05 . . . . 0.0 114.431 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.59 171.89 17.36 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.656 3.571 . . . . 0.0 111.877 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -152.92 144.01 23.07 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.128 1.371 . . . . 0.0 111.575 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -162.58 159.09 24.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.106 1.762 . . . . 0.0 111.675 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -76.81 -31.57 57.04 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.474 0.71 . . . . 0.0 112.439 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -170.43 159.39 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.329 2.251 . . . . 0.0 111.584 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -157.72 132.16 8.37 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 110.942 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -165.11 170.72 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.385 1.474 . . . . 0.0 111.178 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -163.64 146.67 9.98 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.301 1.84 . . . . 0.0 110.219 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.51 148.27 51.7 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.235 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -136.44 155.66 49.69 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.297 1.439 . . . . 0.0 112.028 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.99 164.1 24.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.73 1.212 . . . . 0.0 113.714 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -150.21 35.94 0.66 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.546 1.938 . . . . 0.0 110.426 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.48 53.27 1.72 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 -166.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.44 -171.62 35.23 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.589 1.566 . . . . 0.0 111.817 -167.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.85 169.07 25.29 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.238 1.399 . . . . 0.0 114.389 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 170.1 4.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.807 2.043 . . . . 0.0 110.782 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -155.25 112.64 3.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.155 0.982 . . . . 0.0 111.487 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -168.47 176.27 5.86 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.918 2.087 . . . . 0.0 111.948 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.91 143.78 55.94 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 0.0 111.373 171.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.71 -22.43 66.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.476 1.111 . . . . 0.0 113.418 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -146.03 140.79 27.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.883 1.673 . . . . 0.0 110.271 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 p -160.55 125.25 3.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.428 1.091 . . . . 0.0 110.731 -172.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.4 p -170.96 168.39 7.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.884 1.274 . . . . 0.0 111.88 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -85.67 -6.78 59.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.256 1.022 . . . . 0.0 113.493 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -161.79 141.62 10.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.643 1.977 . . . . 0.0 110.869 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.96 153.57 41.75 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 t -162.79 157.77 21.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.116 1.767 . . . . 0.0 110.743 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 m -167.49 163.76 14.85 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.201 2.2 . . . . 0.0 110.725 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -155.94 130.77 9.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.28 1.432 . . . . 0.0 110.863 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.59 154.89 44.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.554 1.942 . . . . 0.0 112.321 -173.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -11.75 55.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.76 1.224 . . . . 0.0 113.499 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.9 m -168.41 137.31 2.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.228 2.211 . . . . 0.0 110.048 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.34 -26.62 14.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.755 1.222 . . . . 0.0 113.845 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 54.87 -109.49 0.5 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.954 1.701 . . . . 0.0 112.352 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.61 149.66 22.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.19 2.196 . . . . 0.0 109.298 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -70.39 -30.9 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.592 1.557 . . . . 0.0 114.698 -174.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -79.94 57.91 2.75 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -80.95 -12.24 59.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.334 1.454 . . . . 0.0 114.402 -173.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 76.13 9.24 85.53 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.717 1.151 . . . . 0.0 114.518 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.457 1.903 . . . . 0.0 113.476 -177.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.541 0.619 0 CA-C-O 120.975 0.417 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.554 1.117 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 . . . . . 0 CA--C 1.542 0.673 0 CA-C-O 119.534 -0.269 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.304 0.573 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 . . . . . 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 . . . . . 0 CA--C 1.547 0.836 0 CA-C-O 120.773 0.321 . . . . 0.0 110.736 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.543 0.686 0 CA-C-O 121.055 0.455 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.037 0.446 . . . . 0.0 112.142 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 . . . . . 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 . . . . . 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 CA--C 1.546 0.814 0 CA-C-O 120.699 0.285 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 . . . . . 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 120.659 0.266 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 . . . . . 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 121.443 0.64 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 CA--C 1.549 0.924 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 . . . . . 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 CA--C 1.542 0.666 0 CA-C-O 120.866 0.365 . . . . 0.0 111.715 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 . . . . . 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -132.84 151.09 52.09 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.182 1.393 . . . . 0.0 110.764 -174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.0 p -163.89 176.37 9.52 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.374 1.47 . . . . 0.0 111.981 -174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.66 157.21 45.36 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.245 1.818 . . . . 0.0 111.638 -173.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.6 mt -141.7 164.01 31.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.925 1.69 . . . . 0.0 111.571 -173.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -154.67 143.44 20.81 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.287 1.835 . . . . 0.0 110.213 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -116.53 -2.25 12.03 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.684 1.594 . . . . 0.0 112.506 -177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -81.7 72.3 8.74 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 122.31 1.052 . . . . 0.0 110.513 177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 80.3 p -157.68 160.54 38.07 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.046 1.339 . . . . 0.0 113.096 -173.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -161.8 159.56 27.17 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.64 1.976 . . . . 0.0 110.664 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -151.52 -7.36 0.24 Allowed 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -175.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.2 t -165.91 133.2 2.79 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.965 1.257 . . . . 0.0 112.75 -176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -160.5 162.23 32.99 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.097 1.759 . . . . 0.0 111.058 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -61.9 149.43 40.47 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.74 1.216 . . . . 0.0 113.111 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -155.58 125.65 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.668 1.587 . . . . 0.0 110.361 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.21 159.15 21.07 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.899 1.279 . . . . 0.0 112.47 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.4 m -128.03 13.06 6.74 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.702 1.601 . . . . 0.0 112.023 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -163.01 161.41 25.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.231 2.212 . . . . 0.0 110.607 -170.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.6 p -157.08 -95.95 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.986 0.914 . . . . 0.0 111.836 -177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -80.57 123.4 28.09 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.86 1.264 . . . . 0.0 110.457 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 79.9 p -166.91 170.93 11.72 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.339 1.455 . . . . 0.0 111.903 -173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -159.73 163.11 34.97 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.669 1.588 . . . . 0.0 111.257 -179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.16 163.7 39.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.903 1.681 . . . . 0.0 111.416 -177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -160.68 168.74 24.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.511 1.524 . . . . 0.0 112.602 -172.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.05 154.43 19.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 126.859 2.064 . . . . 0.0 109.882 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.8 151.63 24.05 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.769 1.228 . . . . 0.0 112.053 -171.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.5 t -161.07 155.7 23.47 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.863 1.665 . . . . 0.0 110.789 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -160.0 149.75 18.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.648 1.579 . . . . 0.0 111.464 -171.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -157.71 136.63 11.53 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.467 1.507 . . . . 0.0 111.489 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 58.1 m -153.05 163.36 40.0 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.28 1.832 . . . . 0.0 111.047 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.89 118.33 8.49 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.76 1.224 . . . . 0.0 111.434 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.52 158.81 8.06 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.379 2.272 . . . . 0.0 110.301 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.95 144.26 98.75 Favored Pre-proline 0 CA--C 1.553 1.08 0 O-C-N 121.486 -0.759 . . . . 0.0 112.537 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -79.77 -26.74 4.41 Favored 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 123.04 2.493 . . . . 0.0 112.716 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -173.65 173.07 3.45 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.836 2.054 . . . . 0.0 111.816 -174.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.78 127.05 5.43 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 125.494 1.521 . . . . 0.0 113.47 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -64.15 153.58 75.55 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.775 2.983 . . . . 0.0 112.539 170.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -161.67 161.56 29.53 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.445 1.498 . . . . 0.0 112.067 174.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -125.55 137.63 53.93 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.358 1.463 . . . . 0.0 110.934 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -79.6 -13.38 59.56 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -81.81 129.83 34.87 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.575 1.15 . . . . 0.0 112.127 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -88.86 156.33 19.0 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.467 1.107 . . . . 0.0 110.994 171.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -161.9 -178.65 6.61 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.914 1.285 . . . . 0.0 111.576 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.83 141.54 15.64 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.489 1.916 . . . . 0.0 109.517 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -134.93 140.78 46.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.796 1.238 . . . . 0.0 111.285 -169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -163.05 146.62 10.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.589 1.556 . . . . 0.0 111.059 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -145.38 174.01 11.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.29 1.836 . . . . 0.0 111.81 174.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -160.93 159.75 30.01 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.411 1.484 . . . . 0.0 110.893 -176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.23 46.0 3.13 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.188 1.375 . . . . 0.0 113.421 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 87.25 -3.79 86.51 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 125.596 1.57 . . . . 0.0 114.747 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.08 18.65 78.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-N 118.539 1.169 . . . . 0.0 114.767 175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.1 t -160.89 178.71 9.13 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.452 1.501 . . . . 0.0 111.417 -175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -154.78 139.65 17.21 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.461 1.505 . . . . 0.0 111.826 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -99.57 170.77 8.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.335 1.454 . . . . 0.0 113.176 178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.54 159.13 42.87 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.51 1.524 . . . . 0.0 111.394 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 81.6 mt -87.5 3.52 47.03 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.76 1.224 . . . . 0.0 113.984 -173.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.57 147.41 45.67 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.722 1.209 . . . . 0.0 112.417 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.2 p -152.6 172.03 17.24 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.202 1.401 . . . . 0.0 112.176 -173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.1 t -73.93 154.6 39.31 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 121.061 -1.025 . . . . 0.0 113.188 -177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -66.18 148.73 51.39 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.863 1.265 . . . . 0.0 113.242 -177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -157.21 172.05 19.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.007 1.723 . . . . 0.0 112.138 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.21 96.3 0.63 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.69 1.196 . . . . 0.0 112.168 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.0 t -172.24 -44.13 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.52 1.928 . . . . 0.0 111.39 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.3 t 69.65 -173.94 0.18 Allowed 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.328 1.851 . . . . 0.0 113.748 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -162.88 -44.0 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.005 1.722 . . . . 0.0 112.88 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.79 149.82 9.61 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.621 1.568 . . . . 0.0 110.513 -175.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -112.28 -22.3 10.99 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.561 1.944 . . . . 0.0 112.369 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.0 t -156.55 134.67 11.23 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.646 -1.284 . . . . 0.0 112.573 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -154.29 19.89 0.49 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.898 1.279 . . . . 0.0 113.047 -174.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -163.79 169.34 18.47 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.512 1.525 . . . . 0.0 112.211 -172.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.8 mp0 -60.96 146.78 45.67 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.712 1.605 . . . . 0.0 112.011 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.18 -5.4 39.03 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 167.49 179.22 40.17 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.513 1.53 . . . . 0.0 113.221 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 9.8 ptmm? -152.63 -2.14 0.25 Allowed 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -173.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt 68.84 153.57 0.1 Allowed 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.286 2.234 . . . . 0.0 112.729 -171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 61.8 t -144.19 134.53 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.161 0.985 . . . . 0.0 111.38 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 20.9 m -145.28 152.85 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.66 1.984 . . . . 0.0 110.334 173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp 39.98 79.91 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.726 2.41 . . . . 0.0 115.222 173.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 52.0 p -161.92 -163.13 0.91 Allowed 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.073 -1.017 . . . . 0.0 113.37 -172.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.77 -13.52 1.78 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.708 1.203 . . . . 0.0 113.966 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -54.45 -36.54 64.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.818 1.247 . . . . 0.0 111.702 169.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -74.6 -11.15 60.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.583 1.153 . . . . 0.0 113.71 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -108.54 8.8 27.4 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.69 1.196 . . . . 0.0 113.522 169.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.6 tt -117.18 -25.55 7.08 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.737 1.615 . . . . 0.0 113.137 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.66 148.97 31.86 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 118.775 0.716 . . . . 0.0 111.69 171.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 72.09 -0.29 3.29 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 127.782 2.433 . . . . 0.0 115.061 178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -73.17 -10.52 59.86 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.155 1.382 . . . . 0.0 113.169 176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -169.8 163.81 9.81 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.242 3.017 . . . . 0.0 108.048 -169.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -117.86 -13.24 10.1 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -173.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -110.95 -54.02 2.64 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 121.464 -0.772 . . . . 0.0 112.932 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.3 p -81.13 -9.16 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.697 0.799 . . . . 0.0 112.515 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -13.35 45.17 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.341 -0.849 . . . . 0.0 113.105 172.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.66 -27.82 68.12 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -167.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.27 -19.95 27.55 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 171.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.2 mt -73.66 -26.85 22.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.203 1.401 . . . . 0.0 109.889 -169.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -68.65 -7.18 30.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.936 1.294 . . . . 0.0 114.093 172.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -115.37 -53.93 2.57 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.084 1.354 . . . . 0.0 110.568 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 59.53 3.55 0.43 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 118.264 2.69 . . . . 0.0 118.264 168.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.54 2.7 33.85 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.534 1.934 . . . . 0.0 113.086 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -65.01 -14.97 61.75 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -171.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.6 m 68.68 -15.8 0.23 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 118.048 2.611 . . . . 0.0 118.048 167.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -141.52 -2.85 1.2 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -169.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -100.9 -12.02 19.31 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.959 1.304 . . . . 0.0 114.344 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -63.56 -30.91 71.96 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.795 1.238 . . . . 0.0 113.076 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.81 -50.47 70.87 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.789 1.177 . . . . 0.0 111.203 174.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 25.5 m -58.59 -39.33 80.07 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.28 1.432 . . . . 0.0 111.496 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -78.03 -37.03 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.0 m -67.4 -24.02 65.62 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.025 -1.047 . . . . 0.0 112.449 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -69.6 -12.17 61.42 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -117.93 -25.18 6.83 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 170.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -18.84 65.62 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -44.74 -35.21 2.58 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.858 2.063 . . . . 0.0 113.295 169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 89.3 mt -110.42 -13.33 14.29 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.066 1.746 . . . . 0.0 113.944 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 63.3 mt -86.73 -56.7 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.937 1.295 . . . . 0.0 110.603 177.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.7 t -156.65 124.14 5.4 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -72.17 -7.61 50.14 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.491 1.117 . . . . 0.0 113.257 172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.5 mt -75.74 -30.1 59.09 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.044 0.938 . . . . 0.0 112.06 172.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.37 -40.83 77.21 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.107 0.867 . . . . 0.0 111.086 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 25.0 t -56.12 -43.53 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.103 0.961 . . . . 0.0 110.56 170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 72.9 mtt85 -69.81 -30.01 67.44 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -37.81 79.53 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.884 0.873 . . . . 0.0 111.816 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -84.49 -33.12 23.64 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -90.39 -38.75 13.1 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.89 0.768 . . . . 0.0 112.524 -173.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 57.16 45.15 21.13 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.79 1.636 . . . . 0.0 112.665 173.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -77.43 49.49 0.72 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.751 1.62 . . . . 0.0 112.738 -178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -83.06 -11.25 58.21 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.878 1.671 . . . . 0.0 113.948 -176.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 96.43 -8.36 66.6 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 126.079 1.8 . . . . 0.0 114.185 -173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--O 1.254 1.319 0 C-N-CA 128.218 2.607 . . . . 0.0 114.578 172.804 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 39.6 m . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.444 0.164 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -167.26 157.89 11.44 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.136 1.774 . . . . 0.0 110.84 -173.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -164.5 174.37 11.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.172 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -142.77 134.05 26.09 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.202 1.801 . . . . 0.0 110.128 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.1 tp -163.55 -40.22 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.506 1.522 . . . . 0.0 112.312 -177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -59.43 137.61 57.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.009 1.324 . . . . 0.0 112.252 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -165.23 153.43 11.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.945 1.298 . . . . 0.0 111.238 -169.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -84.21 50.47 1.86 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.017 1.327 . . . . 0.0 111.737 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.6 m -142.17 151.29 42.06 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.588 1.555 . . . . 0.0 112.008 -173.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -158.3 163.13 37.66 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.779 1.632 . . . . 0.0 112.086 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -151.41 31.18 0.59 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.395 1.478 . . . . 0.0 111.662 -176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -64.49 137.01 57.63 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.066 1.346 . . . . 0.0 113.24 -174.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -159.59 148.65 17.97 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.434 1.494 . . . . 0.0 111.593 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -162.47 155.85 20.36 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.514 1.926 . . . . 0.0 110.755 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -162.28 142.75 10.09 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.906 1.283 . . . . 0.0 112.277 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -165.74 123.83 1.55 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.957 1.703 . . . . 0.0 109.433 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 t -168.98 169.54 9.54 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.545 1.538 . . . . 0.0 111.435 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -122.82 0.19 9.18 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.937 1.695 . . . . 0.0 112.291 171.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.9 p -83.27 -11.76 57.42 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.492 -1.38 . . . . 0.0 113.898 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -82.95 46.56 1.12 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.76 1.624 . . . . 0.0 111.454 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.1 t -162.6 -178.79 6.44 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.96 1.704 . . . . 0.0 111.726 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.57 159.17 32.96 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.306 1.842 . . . . 0.0 111.405 -176.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.17 170.26 22.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.42 1.488 . . . . 0.0 112.208 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -158.45 163.13 37.46 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.347 1.859 . . . . 0.0 111.686 -176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -162.47 143.2 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.506 1.522 . . . . 0.0 110.656 -175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.9 t70 74.43 129.65 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 128.512 2.725 . . . . 0.0 113.635 178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.9 m -166.85 157.7 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.925 2.09 . . . . 0.0 110.883 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -157.9 141.27 15.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.639 1.575 . . . . 0.0 111.087 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -118.1 -5.85 10.93 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.961 1.704 . . . . 0.0 112.797 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 m -85.06 46.73 1.31 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.165 1.386 . . . . 0.0 111.664 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.19 8.83 2.37 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.742 2.017 . . . . 0.0 114.683 -170.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.96 39.46 0.3 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.618 1.967 . . . . 0.0 113.051 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -55.5 -35.03 29.54 Favored Pre-proline 0 CA--C 1.555 1.159 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -171.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -64.52 -21.0 66.23 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 123.797 2.998 . . . . 0.0 115.099 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -94.85 50.79 1.32 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.783 1.233 . . . . 0.0 112.675 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -74.24 -175.39 33.14 Favored Glycine 0 CA--C 1.542 1.779 0 C-N-CA 125.489 1.519 . . . . 0.0 113.71 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -70.18 153.41 67.01 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 123.864 3.043 . . . . 0.0 112.122 -176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -136.46 3.21 2.79 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.364 1.466 . . . . 0.0 112.947 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -129.35 130.83 46.57 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.191 1.796 . . . . 0.0 110.144 -177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -144.85 131.23 19.68 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.569 1.148 . . . . 0.0 110.572 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.3 pttp -65.88 138.99 58.24 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 -173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -166.6 140.27 3.98 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.569 1.948 . . . . 0.0 111.293 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -170.67 -179.57 2.94 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.586 1.554 . . . . 0.0 110.928 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -140.68 133.95 29.67 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.954 1.701 . . . . 0.0 109.573 173.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -110.06 46.21 1.04 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.291 1.436 . . . . 0.0 111.013 -172.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -157.3 156.5 32.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.304 1.842 . . . . 0.0 111.999 -170.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -160.96 170.98 19.51 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.115 1.766 . . . . 0.0 112.143 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -66.69 151.54 47.19 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.764 0.826 . . . . 0.0 111.898 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 136.84 -152.52 21.34 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.13 1.347 . . . . 0.0 112.818 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.51 -171.32 49.5 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.614 1.102 . . . . 0.0 113.335 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.01 -137.47 22.2 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.124 0.868 . . . . 0.0 112.091 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.1 p -160.74 149.8 16.87 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.925 1.29 . . . . 0.0 111.639 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -100.62 125.63 47.03 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.322 1.049 . . . . 0.0 110.87 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -117.67 137.34 52.73 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.012 1.325 . . . . 0.0 110.749 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -165.05 147.41 8.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.095 1.758 . . . . 0.0 110.577 -173.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 70.8 mt 64.38 6.23 2.97 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.757 2.023 . . . . 0.0 114.421 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -68.31 131.06 44.68 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.695 1.198 . . . . 0.0 111.434 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -163.83 -172.18 2.75 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.288 1.435 . . . . 0.0 110.99 -176.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 t -157.42 158.49 35.94 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.261 1.824 . . . . 0.0 110.487 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -156.96 151.99 26.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.699 1.2 . . . . 0.0 112.466 -171.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -157.45 161.6 38.91 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.66 1.984 . . . . 0.0 111.039 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -146.53 137.98 24.48 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.912 1.285 . . . . 0.0 111.925 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.8 p -166.85 172.84 9.99 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.558 1.943 . . . . 0.0 110.928 -175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.9 m -159.72 159.78 33.27 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.495 1.518 . . . . 0.0 111.224 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -79.16 61.09 3.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.416 1.486 . . . . 0.0 111.866 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.7 mm-40 -70.96 159.34 34.9 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.075 1.75 . . . . 0.0 112.609 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -150.84 143.83 24.65 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.458 1.503 . . . . 0.0 110.401 -175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.9 m -119.5 157.28 28.62 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.217 1.407 . . . . 0.0 112.242 -173.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -76.77 171.68 14.32 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.621 1.168 . . . . 0.0 111.842 174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -150.82 5.82 0.51 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.997 1.719 . . . . 0.0 114.02 -174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -117.96 132.59 56.38 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 110.878 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -114.18 136.81 52.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.316 1.446 . . . . 0.0 111.75 -176.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -100.67 176.8 27.72 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.555 1.55 . . . . 0.0 113.551 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -155.36 -21.87 0.11 Allowed 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -141.44 123.56 15.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.159 1.384 . . . . 0.0 110.709 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.2 t -144.32 128.19 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.408 1.483 . . . . 0.0 109.125 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -165.79 148.64 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.504 1.922 . . . . 0.0 109.346 -174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 61.47 63.02 1.24 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.179 1.392 . . . . 0.0 111.949 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.9 p -166.0 -167.27 1.04 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.96 1.304 . . . . 0.0 111.681 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.64 -14.58 3.35 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 169.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.0 tmtm? -60.82 -12.26 10.29 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.19 1.396 . . . . 0.0 112.382 167.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -82.35 -22.97 35.3 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.608 1.163 . . . . 0.0 113.419 174.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -119.23 -9.97 9.84 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -170.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.2 mt -68.79 -25.4 64.67 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.9 61.97 0.58 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.919 1.688 . . . . 0.0 113.299 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -165.24 -29.61 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.242 1.817 . . . . 0.0 114.011 -177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -85.64 -3.45 58.88 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -169.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.84 169.5 14.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.024 2.129 . . . . 0.0 110.088 -176.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.472 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 22.0 tt0 -143.68 20.11 1.83 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -174.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.32 -79.87 0.6 Allowed 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.096 -1.003 . . . . 0.0 111.017 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -57.99 -21.43 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 126.469 1.907 . . . . 0.0 112.766 174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -70.62 -19.9 62.78 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.734 1.614 . . . . 0.0 113.967 177.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -63.7 -19.96 65.34 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 -169.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -25.77 27.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 172.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.2 mt -69.92 -23.63 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 C-N-CA 125.292 1.437 . . . . 0.0 111.194 -171.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.7 m -60.24 -39.21 85.92 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.142 0.977 . . . . 0.0 112.472 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -102.64 -40.1 6.77 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.038 0.935 . . . . 0.0 112.077 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.19 4.74 3.79 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.88 12.57 14.87 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.041 1.736 . . . . 0.0 113.081 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.77 133.97 56.17 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.009 1.324 . . . . 0.0 111.819 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.6 m -99.66 8.61 44.22 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -151.07 -25.75 0.21 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 -171.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -93.71 -10.18 35.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.8 m95 -59.6 -32.43 70.39 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.825 1.193 . . . . 0.0 113.494 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.8 tp -65.17 -58.54 5.74 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.988 0.813 . . . . 0.0 111.062 169.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.7 m -62.61 -38.97 92.28 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.72 1.208 . . . . 0.0 112.311 -172.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.9 tt -68.74 -33.98 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.91 0.884 . . . . 0.0 111.602 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.7 m -71.71 -18.71 62.14 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 120.911 -1.118 . . . . 0.0 112.739 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -76.28 -15.11 60.07 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 174.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -111.52 -23.35 10.77 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 172.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -68.48 -16.6 63.95 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 120.844 -1.16 . . . . 0.0 113.929 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -48.46 -36.51 15.13 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.645 1.578 . . . . 0.0 112.186 168.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.18 -33.58 10.04 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.122 1.769 . . . . 0.0 112.732 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 40.4 mt -71.75 -57.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 124.054 0.942 . . . . 0.0 111.186 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.9 t -162.26 118.89 2.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -177.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.26 -23.47 66.71 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.561 -0.712 . . . . 0.0 112.182 172.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.4 mt -62.91 -29.57 70.87 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 119.43 1.014 . . . . 0.0 112.574 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.97 -38.3 82.59 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.218 0.917 . . . . 0.0 111.777 173.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.4 t -63.77 -37.66 80.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.64 -0.662 . . . . 0.0 110.298 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -69.15 -33.91 74.17 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.39 -42.62 98.82 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.805 0.842 . . . . 0.0 111.63 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.67 -12.14 59.83 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.085 1.143 . . . . 0.0 114.085 178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -103.31 -32.41 9.58 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 56.36 43.25 26.56 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.119 1.368 . . . . 0.0 111.809 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -74.41 31.71 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.634 1.973 . . . . 0.0 114.923 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -73.93 -19.31 60.73 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.776 1.63 . . . . 0.0 114.627 -170.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.55 13.53 83.1 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.578 1.085 . . . . 0.0 114.83 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.254 1.317 0 C-N-CA 126.356 1.862 . . . . 0.0 111.876 -175.192 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.416 0.15 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -161.76 141.78 10.32 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 126.017 1.727 . . . . 0.0 110.072 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.34 169.06 23.91 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.429 1.492 . . . . 0.0 111.123 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -159.64 161.58 35.03 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.129 1.772 . . . . 0.0 111.978 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 tp -155.22 139.73 16.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.91 1.684 . . . . 0.0 109.98 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -159.31 144.59 15.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.326 1.45 . . . . 0.0 111.403 -175.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -156.26 1.37 0.14 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -166.39 138.66 3.76 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.088 1.355 . . . . 0.0 111.38 -175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 85.7 p -155.83 23.2 0.39 Allowed 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 -169.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -153.45 147.99 26.13 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.506 1.523 . . . . 0.0 111.804 -172.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -159.34 157.87 31.23 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.385 1.874 . . . . 0.0 110.988 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.7 m -149.7 162.56 40.0 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.185 1.394 . . . . 0.0 112.824 -172.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -145.56 156.08 43.46 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.25 1.82 . . . . 0.0 110.41 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -135.93 17.44 3.26 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -168.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -156.27 171.44 20.2 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.695 1.598 . . . . 0.0 112.169 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -146.34 73.78 1.34 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.339 1.456 . . . . 0.0 108.243 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.6 p -165.09 143.34 6.32 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.111 1.365 . . . . 0.0 111.733 -169.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -84.5 -16.86 40.91 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 113.619 -173.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -170.05 -175.57 2.05 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.569 1.948 . . . . 0.0 110.756 -174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -137.17 130.04 30.5 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.163 1.785 . . . . 0.0 109.761 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.2 t -166.91 -173.34 2.34 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.648 1.579 . . . . 0.0 111.109 -174.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -154.02 145.94 23.53 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.127 1.771 . . . . 0.0 110.288 179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.14 23.54 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.959 1.303 . . . . 0.0 113.117 -173.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -159.53 154.06 24.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.224 1.81 . . . . 0.0 110.737 175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.8 m -155.52 151.22 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.829 2.052 . . . . 0.0 110.866 -170.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -160.45 137.42 9.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.629 1.572 . . . . 0.0 110.892 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.8 t -165.7 155.39 12.46 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.291 1.436 . . . . 0.0 111.209 -178.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.76 147.58 11.85 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.411 1.884 . . . . 0.0 111.053 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -158.73 137.88 11.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.613 1.565 . . . . 0.0 111.318 -178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.0 t -166.04 173.92 9.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.773 1.629 . . . . 0.0 111.048 -178.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.88 112.12 11.95 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.746 1.218 . . . . 0.0 111.642 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.67 162.86 19.07 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.41 1.884 . . . . 0.0 111.241 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt -139.08 146.24 48.58 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.206 1.403 . . . . 0.0 111.743 178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.71 -19.46 12.74 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.474 2.783 . . . . 0.0 113.392 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -148.03 159.95 43.36 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.535 -175.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.71 177.37 40.94 Favored Glycine 0 CA--C 1.541 1.7 0 C-N-CA 125.823 1.677 . . . . 0.0 112.785 174.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -59.8 140.05 91.37 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 124.33 3.353 . . . . 0.0 112.534 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.71 -19.62 58.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.725 0.81 . . . . 0.0 112.882 174.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -165.08 158.02 16.35 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.116 2.167 . . . . 0.0 111.569 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -166.84 172.94 9.91 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.369 1.868 . . . . 0.0 110.959 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -149.83 154.33 38.23 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.045 1.338 . . . . 0.0 112.37 177.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -126.78 7.65 6.8 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.965 1.306 . . . . 0.0 113.684 -173.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 56.1 p -80.34 -179.13 6.96 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 125.363 1.465 . . . . 0.0 112.608 174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -143.11 140.79 31.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.236 1.414 . . . . 0.0 110.026 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -159.15 154.62 25.8 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.71 1.604 . . . . 0.0 111.098 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -165.23 152.83 11.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.39 1.476 . . . . 0.0 112.27 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -88.85 171.79 9.67 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.299 1.44 . . . . 0.0 112.387 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -156.7 -58.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.741 1.216 . . . . 0.0 111.09 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 81.82 -164.12 44.5 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 124.023 0.82 . . . . 0.0 112.399 -169.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.89 155.07 42.27 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.384 0.992 . . . . 0.0 113.25 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.28 79.41 1.88 Allowed Glycine 0 CA--C 1.528 0.877 0 C-N-CA 124.754 1.168 . . . . 0.0 112.127 -179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.0 p -161.47 170.07 20.65 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.239 1.416 . . . . 0.0 112.357 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.95 125.71 9.02 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.291 1.436 . . . . 0.0 110.236 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -88.74 157.28 18.56 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.337 1.055 . . . . 0.0 112.509 -171.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 65.57 -178.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.463 2.305 . . . . 0.0 113.072 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.6 tp -149.66 85.58 1.44 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.106 1.362 . . . . 0.0 109.576 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -165.61 154.75 12.05 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.469 1.908 . . . . 0.0 111.562 -175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -165.87 -174.97 3.22 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.382 1.473 . . . . 0.0 111.256 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 t -157.45 148.77 21.77 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.016 1.726 . . . . 0.0 110.547 178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -85.38 141.79 29.75 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.314 1.046 . . . . 0.0 113.126 -174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.07 142.29 26.14 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.05 1.74 . . . . 0.0 110.838 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -71.06 -25.6 62.71 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.6 m 64.09 15.67 9.43 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.906 1.682 . . . . 0.0 114.141 173.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.8 t -159.52 -162.3 1.02 Allowed 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.958 1.703 . . . . 0.0 111.277 -172.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -151.88 134.36 15.35 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.226 1.81 . . . . 0.0 111.045 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.75 152.82 12.0 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.078 1.751 . . . . 0.0 109.978 -174.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -155.31 131.56 10.26 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.664 1.186 . . . . 0.0 111.399 -177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.7 p -160.2 162.58 33.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.618 1.567 . . . . 0.0 111.698 -176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -157.51 119.78 3.81 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.855 1.262 . . . . 0.0 111.238 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -153.1 176.79 11.52 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 127.453 2.301 . . . . 0.0 109.228 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.46 138.37 58.06 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.432 -0.793 . . . . 0.0 111.539 173.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.16 32.13 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.174 1.79 . . . . 0.0 112.734 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.61 -175.22 40.38 Favored Glycine 0 CA--C 1.533 1.18 0 C-N-CA 125.898 1.714 . . . . 0.0 112.427 -169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -130.31 -34.91 1.58 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.681 1.592 . . . . 0.0 113.194 -177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -166.62 152.17 8.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.607 1.563 . . . . 0.0 112.214 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.5 m -134.95 130.7 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.16 1.384 . . . . 0.0 110.28 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 57.3 t -154.63 149.75 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 126.893 2.077 . . . . 0.0 107.889 -169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -60.52 93.6 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.67 1.188 . . . . 0.0 111.745 173.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.0 p -154.37 -118.3 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.766 1.626 . . . . 0.0 109.603 -174.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.68 -30.78 65.75 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.636 -1.29 . . . . 0.0 112.197 169.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -58.04 -30.03 65.82 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.992 1.317 . . . . 0.0 112.694 170.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 tp10 -88.97 -39.3 13.82 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.922 0.889 . . . . 0.0 110.874 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -65.0 -21.61 66.88 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 172.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -27.62 67.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.835 2.054 . . . . 0.0 114.143 174.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 94.9 mt -82.77 58.98 4.55 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -168.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -159.71 -12.88 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.687 1.595 . . . . 0.0 115.098 176.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -86.25 -12.23 50.16 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 115.343 1.608 . . . . 0.0 115.343 -169.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.31 -179.78 3.17 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.963 2.105 . . . . 0.0 110.124 -169.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.43 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.9 tt0 -133.94 -4.1 2.82 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.401 1.08 . . . . 0.0 113.855 -175.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -119.66 -64.69 1.24 Allowed 'General case' 0 N--CA 1.479 1.02 0 O-C-N 120.983 -1.073 . . . . 0.0 112.56 -169.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.56 -11.86 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.008 0.923 . . . . 0.0 111.931 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -87.38 -20.46 26.67 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.303 1.841 . . . . 0.0 113.3 176.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.59 -27.53 69.26 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -167.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -25.16 29.54 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.588 1.155 . . . . 0.0 113.377 174.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -67.75 -25.11 31.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 O-C-N 120.797 -1.189 . . . . 0.0 110.253 -178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 17.3 m -67.76 -6.67 22.18 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.126 1.371 . . . . 0.0 114.542 169.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -119.89 -49.29 2.32 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.733 1.613 . . . . 0.0 110.823 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.45 -2.18 0.5 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.78 2.432 . . . . 0.0 117.344 169.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -82.66 2.84 31.53 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.022 1.729 . . . . 0.0 112.006 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -82.31 64.63 7.07 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.483 1.913 . . . . 0.0 111.831 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.2 m -59.41 -18.97 43.52 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -172.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -85.28 -16.48 39.97 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.631 1.172 . . . . 0.0 113.407 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -98.2 -25.76 14.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.755 1.622 . . . . 0.0 113.579 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.65 -28.05 68.27 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 -171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.2 -53.81 11.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.896 0.771 . . . . 0.0 110.916 169.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.0 m -61.09 -39.01 88.31 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.879 1.271 . . . . 0.0 112.138 -175.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.49 -33.75 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.14 0.576 . . . . 0.0 111.785 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.9 t -65.0 -26.95 68.5 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.122 -0.986 . . . . 0.0 112.251 177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -71.87 -15.81 62.12 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.59 -0.693 . . . . 0.0 112.58 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -95.45 -41.56 8.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.724 1.21 . . . . 0.0 111.139 171.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -68.14 -16.48 64.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -44.21 -35.21 2.15 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.192 2.197 . . . . 0.0 113.457 169.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.19 -9.58 14.68 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.012 1.725 . . . . 0.0 114.332 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.0 mt -97.98 -56.42 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 125.59 1.556 . . . . 0.0 111.129 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 33.7 t -155.27 116.9 4.05 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.744 0.783 . . . . 0.0 113.035 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -73.35 -3.67 28.65 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.16 1.384 . . . . 0.0 114.402 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -12.23 21.97 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 171.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -63.04 -46.78 85.93 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.11 1.323 . . . . 0.0 110.732 173.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.18 -32.66 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 123.183 0.593 . . . . 0.0 112.006 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -73.43 -32.51 64.44 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.314 0.246 . . . . 0.0 111.454 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.28 70.32 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.128 0.971 . . . . 0.0 113.428 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -93.35 -15.9 25.22 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 178.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -103.47 -43.54 5.37 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.55 1.068 . . . . 0.0 112.809 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 57.84 61.14 2.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.016 2.126 . . . . 0.0 113.041 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.31 -9.57 12.47 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 9.1 p90 -77.39 -22.49 51.55 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.651 1.581 . . . . 0.0 113.409 170.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 85.11 -49.32 4.2 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.969 2.223 . . . . 0.0 112.903 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 22.9 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.925 2.09 . . . . 0.0 112.244 -176.152 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -133.72 146.26 50.63 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.201 1.4 . . . . 0.0 110.593 -174.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -166.5 155.58 11.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 126.585 1.954 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -144.38 145.62 32.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.711 1.604 . . . . 0.0 110.262 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.4 mt -142.6 142.04 32.07 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.9 1.68 . . . . 0.0 110.488 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.18 -15.66 49.66 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.235 1.014 . . . . 0.0 113.128 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -161.19 142.56 11.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.227 1.811 . . . . 0.0 109.309 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -84.34 12.1 7.3 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.514 1.126 . . . . 0.0 113.521 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.2 t -163.85 171.13 15.85 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.315 1.846 . . . . 0.0 111.069 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -152.67 24.42 0.59 Allowed 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.423 1.889 . . . . 0.0 111.867 -175.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -154.1 151.05 28.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.967 1.707 . . . . 0.0 111.552 -173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -161.84 160.84 28.64 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.245 1.418 . . . . 0.0 111.616 -176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -157.26 151.06 24.38 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.604 1.562 . . . . 0.0 111.599 -175.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -158.23 150.58 22.06 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.989 1.716 . . . . 0.0 111.115 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -157.14 142.45 17.27 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.485 1.514 . . . . 0.0 111.687 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -165.11 147.84 8.14 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.868 1.667 . . . . 0.0 109.891 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.5 m -65.64 153.07 42.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.538 1.135 . . . . 0.0 113.441 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -156.55 152.77 27.7 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.124 1.37 . . . . 0.0 111.68 -176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m -108.18 3.81 24.13 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.415 1.086 . . . . 0.0 113.527 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -70.38 -4.59 23.09 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.686 1.194 . . . . 0.0 113.562 -176.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.8 p -73.3 -9.92 59.21 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.275 1.43 . . . . 0.0 113.418 169.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 82.75 147.44 0.08 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 128.828 2.851 . . . . 0.0 113.319 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.0 161.57 42.48 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.483 1.913 . . . . 0.0 111.066 178.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -157.91 165.27 35.62 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.326 1.45 . . . . 0.0 111.76 -172.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -161.44 143.36 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 126.608 1.963 . . . . 0.0 110.044 -176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -157.12 150.95 24.52 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.264 1.426 . . . . 0.0 111.612 -173.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.1 p -162.72 159.42 24.26 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.437 1.495 . . . . 0.0 112.221 -175.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -156.32 130.94 8.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.375 1.47 . . . . 0.0 110.912 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -77.54 -13.97 59.78 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.815 1.246 . . . . 0.0 113.084 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 m 73.83 167.04 0.3 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.995 2.518 . . . . 0.0 114.506 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -156.37 129.22 7.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.544 1.537 . . . . 0.0 110.907 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -167.3 160.9 13.92 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.278 1.831 . . . . 0.0 111.161 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -67.63 148.13 98.61 Favored Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 123.372 0.669 . . . . 0.0 112.094 174.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.98 -23.03 22.3 Favored 'Trans proline' 0 CA--C 1.54 0.819 0 C-N-CA 123.287 2.658 . . . . 0.0 112.792 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -166.83 161.83 15.59 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.047 2.139 . . . . 0.0 110.843 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.37 116.07 4.14 Favored Glycine 0 CA--C 1.539 1.55 0 CA-C-O 117.367 -1.796 . . . . 0.0 110.642 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -66.31 143.45 70.47 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 123.085 2.523 . . . . 0.0 113.222 -175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -161.9 166.71 25.83 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.632 1.973 . . . . 0.0 111.526 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 47.1 m0 -64.82 147.24 53.61 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.067 0.947 . . . . 0.0 113.213 -174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -82.07 -10.92 59.05 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 47.7 mttp 63.26 42.34 7.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.406 1.483 . . . . 0.0 112.679 170.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -61.89 162.8 8.45 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.723 1.609 . . . . 0.0 113.846 -177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.7 m -140.22 154.65 46.96 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.498 1.519 . . . . 0.0 111.562 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.42 175.62 6.35 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.012 1.725 . . . . 0.0 112.697 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -132.37 152.17 51.56 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.704 1.602 . . . . 0.0 111.338 -177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -63.6 148.11 49.74 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.355 1.062 . . . . 0.0 112.751 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -161.12 168.28 24.61 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.677 1.591 . . . . 0.0 112.727 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -160.04 165.95 30.88 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.975 1.71 . . . . 0.0 110.577 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -79.15 45.25 2.76 Favored Glycine 0 CA--C 1.534 1.279 0 C-N-CA 125.262 1.41 . . . . 0.0 113.708 -179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 83.64 -178.09 52.46 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.518 1.532 . . . . 0.0 113.388 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.19 162.28 40.23 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.691 1.138 . . . . 0.0 113.131 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 87.9 p -165.25 167.77 17.66 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.461 1.504 . . . . 0.0 111.758 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -160.77 158.93 29.4 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.289 1.436 . . . . 0.0 112.252 -178.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -145.24 143.49 30.28 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.064 1.746 . . . . 0.0 110.835 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -147.64 153.53 39.48 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.374 1.47 . . . . 0.0 111.496 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.8 tt -158.7 93.83 1.21 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.821 1.648 . . . . 0.0 108.272 178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.17 130.97 39.05 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.269 1.028 . . . . 0.0 111.978 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.7 m -69.23 149.92 48.01 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.239 1.016 . . . . 0.0 112.777 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.1 p -78.37 155.16 30.2 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.234 1.013 . . . . 0.0 112.887 175.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -77.84 160.81 28.07 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.029 0.932 . . . . 0.0 113.064 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -159.76 151.22 19.9 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.424 1.49 . . . . 0.0 112.308 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -155.36 143.08 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.446 1.899 . . . . 0.0 109.896 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 m -66.61 140.94 57.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.388 1.075 . . . . 0.0 113.674 -171.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 m -78.64 -4.26 48.07 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -66.34 133.29 50.21 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.98 1.712 . . . . 0.0 112.754 -177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.06 7.58 2.24 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.203 1.401 . . . . 0.0 112.327 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -148.12 164.52 33.63 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.416 2.286 . . . . 0.0 109.654 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.3 m -61.7 129.67 42.16 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.779 1.232 . . . . 0.0 114.201 -171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.43 -19.21 61.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.654 1.182 . . . . 0.0 113.999 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.43 -0.26 3.56 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 114.879 -176.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -133.77 19.9 3.86 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.217 1.807 . . . . 0.0 112.517 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -141.17 -73.04 0.34 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.238 1.415 . . . . 0.0 111.563 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.97 159.75 8.89 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 124.599 1.095 . . . . 0.0 114.23 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.37 137.37 5.0 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.8 1.64 . . . . 0.0 111.809 172.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -154.86 145.23 22.06 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.287 1.835 . . . . 0.0 110.478 -177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 34.8 t -77.31 77.62 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-O 122.216 1.008 . . . . 0.0 108.591 171.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.0 m -68.5 142.23 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.82 1.248 . . . . 0.0 112.443 -173.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.25 96.86 3.35 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.69 1.996 . . . . 0.0 107.698 171.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.9 p -169.13 -143.54 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.342 1.457 . . . . 0.0 109.996 -167.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.7 -19.73 6.82 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.085 1.354 . . . . 0.0 114.472 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -61.18 -32.75 72.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.008 1.323 . . . . 0.0 112.918 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -70.98 -15.68 62.59 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.859 0.864 . . . . 0.0 112.26 178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -96.83 8.55 44.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.638 1.575 . . . . 0.0 112.813 173.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.7 tt -132.19 -22.35 2.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.504 1.522 . . . . 0.0 114.028 -169.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.2 142.69 51.09 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 119.768 1.167 . . . . 0.0 110.232 169.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 70.59 1.95 3.89 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.233 2.213 . . . . 0.0 115.203 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -73.96 -3.63 30.25 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 124.978 1.311 . . . . 0.0 113.045 175.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -169.57 170.4 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 130.006 3.322 . . . . 0.0 108.285 -172.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -140.25 23.9 2.34 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -169.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -132.42 -71.66 0.53 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.549 1.14 . . . . 0.0 110.701 172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.78 -20.01 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 125.588 1.555 . . . . 0.0 113.093 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.52 -21.38 45.34 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -62.27 -22.76 66.27 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.871 1.434 . . . . 0.0 114.871 -168.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -29.66 37.76 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.256 -0.903 . . . . 0.0 113.242 171.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.6 mt -68.69 -24.88 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.631 1.572 . . . . 0.0 111.084 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -63.99 -19.26 65.03 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 171.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -110.27 -49.4 3.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.178 1.391 . . . . 0.0 111.296 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.77 2.6 2.67 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.167 2.187 . . . . 0.0 116.745 170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.48 5.33 48.09 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.464 1.505 . . . . 0.0 113.094 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.44 117.63 17.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.576 1.15 . . . . 0.0 112.543 -169.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.8 m -78.03 147.26 34.87 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 31.4 t70 69.79 -29.02 0.17 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 129.107 2.963 . . . . 0.0 113.911 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.15 -41.1 86.6 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.967 1.307 . . . . 0.0 113.066 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 21.5 m95 -60.24 -29.64 68.9 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.0 tp -68.34 -58.7 3.98 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.124 0.875 . . . . 0.0 110.69 169.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 84.9 m -62.48 -37.76 87.22 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.315 1.046 . . . . 0.0 112.667 -173.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.6 tt -69.34 -34.31 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.769 0.828 . . . . 0.0 111.814 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.6 t -65.73 -27.84 68.61 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.297 -0.877 . . . . 0.0 111.883 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -71.85 -15.58 62.13 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 174.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -95.66 -40.36 9.44 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.475 1.11 . . . . 0.0 111.157 171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.17 -17.22 63.16 Favored 'General case' 0 CA--C 1.527 0.094 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -173.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -49.51 -36.37 22.94 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.108 1.363 . . . . 0.0 111.438 166.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -106.76 -34.38 7.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.315 1.846 . . . . 0.0 113.051 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.93 -61.32 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 CA-C-N 119.473 1.033 . . . . 0.0 111.068 177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -157.35 121.07 4.16 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -14.45 62.54 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.022 0.929 . . . . 0.0 112.819 170.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.7 -38.98 92.55 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.547 1.521 . . . . 0.0 111.543 172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.83 -41.78 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.398 0.544 . . . . 0.0 111.023 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 40.6 t -56.43 -41.94 73.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 123.725 0.81 . . . . 0.0 110.798 172.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -73.36 -25.77 60.73 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.16 -36.23 66.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.004 0.922 . . . . 0.0 112.978 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.69 -30.25 29.33 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -95.04 -35.46 11.93 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.901 0.773 . . . . 0.0 112.626 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 57.53 34.22 24.3 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.639 1.976 . . . . 0.0 112.659 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -98.39 126.93 44.1 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.632 1.973 . . . . 0.0 110.434 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -136.73 3.97 2.77 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.095 1.358 . . . . 0.0 114.147 -170.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 84.78 8.26 82.95 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.647 1.594 . . . . 0.0 114.082 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.4 p . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.744 2.018 . . . . 0.0 113.442 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -168.37 160.97 11.71 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.508 1.923 . . . . 0.0 110.75 -173.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.3 p -163.18 173.71 13.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.366 1.466 . . . . 0.0 111.996 -175.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -154.4 161.69 41.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.066 1.747 . . . . 0.0 111.659 -172.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.33 174.05 15.34 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.181 1.792 . . . . 0.0 111.892 -174.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -137.0 146.94 45.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.883 1.673 . . . . 0.0 110.97 178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -93.56 8.45 40.69 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.571 1.148 . . . . 0.0 112.805 -174.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -155.64 138.17 15.01 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.35 1.46 . . . . 0.0 110.564 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.7 t -164.06 171.01 15.75 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.382 1.873 . . . . 0.0 110.427 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.19 153.93 22.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.607 1.563 . . . . 0.0 112.82 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -163.78 150.05 11.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.727 2.011 . . . . 0.0 110.372 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.2 t -160.31 144.69 14.34 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.252 1.021 . . . . 0.0 112.141 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -163.89 154.38 15.41 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.692 1.997 . . . . 0.0 110.541 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -156.06 146.73 21.92 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.047 1.339 . . . . 0.0 111.818 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -159.75 144.4 15.04 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.282 1.833 . . . . 0.0 110.831 175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -162.86 150.8 13.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.187 1.395 . . . . 0.0 110.535 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.3 m -106.02 15.89 25.83 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.725 1.61 . . . . 0.0 113.36 -171.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -155.4 147.26 23.32 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.196 1.799 . . . . 0.0 110.234 -173.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -163.72 167.32 21.17 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.428 1.891 . . . . 0.0 111.033 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.66 136.05 57.68 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.237 1.015 . . . . 0.0 111.439 177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -161.08 -166.75 1.64 Allowed 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.311 1.444 . . . . 0.0 111.152 -173.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.22 163.63 39.55 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.868 1.667 . . . . 0.0 112.126 -175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -155.77 172.84 17.65 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.962 1.705 . . . . 0.0 111.696 -175.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -154.49 163.68 39.83 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.439 1.496 . . . . 0.0 111.61 -175.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.78 146.48 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.651 1.981 . . . . 0.0 109.878 -174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -151.96 144.37 24.09 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.736 1.215 . . . . 0.0 112.057 -172.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 t -166.15 178.48 6.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.598 1.959 . . . . 0.0 110.282 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -154.3 146.89 24.12 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.201 1.401 . . . . 0.0 113.04 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -165.84 143.64 5.69 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 127.233 2.213 . . . . 0.0 109.918 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -163.45 165.59 23.66 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.349 1.06 . . . . 0.0 113.051 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -133.34 15.86 4.1 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.775 1.63 . . . . 0.0 112.252 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -160.87 159.75 30.15 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.723 2.009 . . . . 0.0 111.222 -176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -154.46 137.46 10.27 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 125.272 1.429 . . . . 0.0 110.815 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -73.28 -25.74 15.31 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.958 2.439 . . . . 0.0 113.949 -173.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -166.54 160.0 14.87 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.363 1.465 . . . . 0.0 112.427 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -143.04 135.97 6.78 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 117.999 -1.445 . . . . 0.0 111.498 170.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.08 145.02 19.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.404 2.736 . . . . 0.0 111.681 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -161.89 152.61 17.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.113 1.765 . . . . 0.0 111.61 176.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -69.83 152.5 44.49 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.231 1.012 . . . . 0.0 113.393 -172.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.09 153.79 19.84 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.62 1.168 . . . . 0.0 111.856 176.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 66.16 10.77 7.36 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.415 1.886 . . . . 0.0 115.256 172.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.88 -0.23 54.84 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -61.49 149.58 38.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.24 1.416 . . . . 0.0 113.243 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -68.59 132.33 46.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.836 0.854 . . . . 0.0 111.55 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -157.92 155.14 29.02 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.867 1.667 . . . . 0.0 110.807 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -139.93 141.55 36.48 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.348 1.459 . . . . 0.0 111.574 -173.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -155.86 147.35 22.79 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.135 1.774 . . . . 0.0 111.425 177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 65.09 10.31 6.23 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.374 1.87 . . . . 0.0 114.25 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -94.58 -170.0 37.3 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.416 1.484 . . . . 0.0 113.677 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.26 10.2 84.01 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 124.498 1.047 . . . . 0.0 114.689 177.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -169.54 -159.33 15.04 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.433 1.492 . . . . 0.0 113.169 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.1 t -159.29 160.58 35.35 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.086 1.354 . . . . 0.0 111.357 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -160.0 152.28 20.76 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.892 1.677 . . . . 0.0 111.25 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -121.65 160.34 24.64 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.422 1.489 . . . . 0.0 112.514 -176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -155.5 142.08 18.76 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.292 1.837 . . . . 0.0 109.959 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp 57.17 37.32 28.37 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.398 1.479 . . . . 0.0 111.619 -176.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.92 140.11 58.33 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.274 1.43 . . . . 0.0 112.624 -172.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.7 m -126.15 170.89 11.34 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.534 1.534 . . . . 0.0 111.5 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 62.8 m -138.31 163.76 30.98 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.746 1.219 . . . . 0.0 112.093 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -62.21 144.41 55.54 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.617 1.167 . . . . 0.0 113.279 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -77.31 -25.83 51.62 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -162.17 159.79 26.35 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.746 1.619 . . . . 0.0 111.523 -173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 t -167.76 158.35 10.87 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.486 1.915 . . . . 0.0 110.984 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 t -163.6 144.1 8.8 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.242 1.417 . . . . 0.0 111.652 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -90.62 -1.19 57.88 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.949 1.699 . . . . 0.0 113.397 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -69.74 152.08 45.06 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.836 1.254 . . . . 0.0 112.522 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 73.2 30.79 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.547 1.939 . . . . 0.0 113.066 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 t -151.44 155.76 39.25 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.925 1.29 . . . . 0.0 112.071 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -100.71 -8.53 22.72 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.48 1.512 . . . . 0.0 113.441 -177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -162.79 148.03 12.01 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.978 1.311 . . . . 0.0 112.309 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -167.43 166.51 14.36 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.717 2.007 . . . . 0.0 109.546 -176.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 77.11 -2.12 2.69 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 127.882 2.473 . . . . 0.0 114.263 174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.44 25.67 65.15 Favored Glycine 0 N--CA 1.473 1.104 0 CA-C-N 119.088 0.858 . . . . 0.0 114.229 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -67.28 -24.24 65.75 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -171.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -89.16 126.98 35.7 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.405 1.082 . . . . 0.0 112.16 -171.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.2 p -162.19 137.87 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.229 1.411 . . . . 0.0 110.659 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.4 p -168.48 136.95 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.867 1.667 . . . . 0.0 109.899 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp 40.56 55.33 2.92 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.856 2.062 . . . . 0.0 114.543 172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 p -145.29 -159.62 1.03 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.994 1.318 . . . . 0.0 111.999 -171.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.76 -21.03 6.44 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.667 1.587 . . . . 0.0 115.199 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -48.29 -39.45 21.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.017 1.327 . . . . 0.0 111.481 168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -64.7 -40.2 94.96 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.647 1.179 . . . . 0.0 112.856 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -90.38 -20.57 22.67 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.28 -28.54 62.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.713 1.605 . . . . 0.0 111.949 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.87 44.74 0.08 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 126.479 1.911 . . . . 0.0 114.328 175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -152.12 -3.33 0.26 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.671 1.989 . . . . 0.0 113.719 176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -89.79 -10.19 46.44 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.7 177.29 3.94 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.001 2.12 . . . . 0.0 110.28 -169.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 26.2 tt0 -133.07 -3.2 3.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.94 1.296 . . . . 0.0 113.516 -175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -119.38 -64.81 1.23 Allowed 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.83 -1.169 . . . . 0.0 112.638 -170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.2 p -66.83 -11.48 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 124.167 0.987 . . . . 0.0 111.728 169.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.427 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.23 -19.15 30.39 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.202 1.801 . . . . 0.0 113.597 175.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.51 -14.41 62.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -168.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.71 -25.02 15.69 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.54 1.536 . . . . 0.0 113.56 172.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.7 mt -69.67 -25.77 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.64 1.576 . . . . 0.0 110.457 -176.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 44.4 p -71.04 -2.61 16.07 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.246 1.419 . . . . 0.0 114.383 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -125.84 -48.62 1.63 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.854 1.661 . . . . 0.0 110.731 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.09 4.14 1.95 Allowed 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 127.679 2.392 . . . . 0.0 116.687 169.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -80.15 -1.6 41.0 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.43 1.492 . . . . 0.0 113.264 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -75.82 83.88 2.77 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.732 1.613 . . . . 0.0 111.608 -172.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 64.3 m -57.32 145.95 30.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.819 1.247 . . . . 0.0 112.839 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.9 t70 71.61 -37.7 0.4 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 128.418 2.687 . . . . 0.0 113.608 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -60.5 -28.74 68.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.923 1.289 . . . . 0.0 112.547 171.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.15 -26.5 64.82 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 174.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.2 tp -77.81 -47.68 18.33 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.78 1.173 . . . . 0.0 111.052 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 m -60.6 -39.09 86.87 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.698 1.199 . . . . 0.0 112.192 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.1 tt -73.23 -31.24 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.112 0.965 . . . . 0.0 111.593 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.9 t -66.08 -25.58 67.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 120.872 -1.142 . . . . 0.0 112.744 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -69.09 -17.83 63.91 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -108.25 -29.56 8.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.931 0.893 . . . . 0.0 113.181 169.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -65.89 -18.68 65.5 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -46.04 -34.77 4.32 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.215 1.806 . . . . 0.0 113.044 168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.67 -18.45 11.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.992 1.717 . . . . 0.0 113.883 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 56.7 mt -80.29 -57.0 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.112 0.965 . . . . 0.0 110.584 177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 24.1 t -160.28 123.0 3.36 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 114.054 1.131 . . . . 0.0 114.054 -177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -66.19 -20.61 66.18 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.272 0.629 . . . . 0.0 112.563 172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.2 mt -63.17 -37.36 86.91 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.672 1.124 . . . . 0.0 111.82 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.23 -48.82 71.97 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 122.634 0.374 . . . . 0.0 110.128 176.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 20.4 t -57.26 -38.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 124.155 0.982 . . . . 0.0 111.203 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.06 -28.72 65.68 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.594 -0.691 . . . . 0.0 112.725 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -71.73 -43.08 66.46 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 111.978 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -77.92 -34.96 51.07 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -90.91 -20.11 22.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.252 0.933 . . . . 0.0 112.64 -176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 58.74 56.35 4.21 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.123 1.769 . . . . 0.0 112.222 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -74.72 27.29 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.653 1.581 . . . . 0.0 113.922 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -83.48 -15.32 49.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.335 1.854 . . . . 0.0 114.401 -170.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 80.14 10.52 85.41 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.967 1.27 . . . . 0.0 114.225 -177.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.6 p . . . . . 0 C--O 1.255 1.356 0 C-N-CA 126.378 1.871 . . . . 0.0 113.597 -178.78 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 111.054 0.02 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -145.49 125.26 13.39 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.498 1.519 . . . . 0.0 108.997 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t 69.64 -30.07 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.291 2.236 . . . . 0.0 114.491 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -159.98 167.99 26.67 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.193 2.197 . . . . 0.0 111.473 -175.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.2 mt -99.02 146.9 25.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.435 1.494 . . . . 0.0 110.783 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -160.31 143.94 13.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.909 1.284 . . . . 0.0 112.03 -175.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -161.51 134.42 6.19 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.93 1.692 . . . . 0.0 109.394 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -137.56 27.13 2.8 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.214 1.406 . . . . 0.0 111.445 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.6 p -158.26 162.81 37.83 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.357 1.463 . . . . 0.0 112.355 -169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -149.15 23.04 0.95 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.741 1.617 . . . . 0.0 112.911 -170.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -60.56 139.7 57.67 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.607 1.563 . . . . 0.0 113.089 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 t -163.54 -177.64 5.36 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.505 1.522 . . . . 0.0 111.409 -174.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -150.86 168.7 23.68 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.697 1.599 . . . . 0.0 112.27 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -157.96 172.81 17.78 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.802 1.641 . . . . 0.0 111.776 -174.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -154.52 147.55 24.63 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.219 1.408 . . . . 0.0 111.351 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -160.62 139.91 10.66 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.906 1.682 . . . . 0.0 109.933 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -64.38 131.52 47.46 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.459 1.103 . . . . 0.0 113.349 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -83.46 0.17 47.43 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.574 1.549 . . . . 0.0 113.703 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.5 p -81.66 -0.63 43.51 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.013 1.725 . . . . 0.0 114.304 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -68.58 115.42 7.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.742 1.217 . . . . 0.0 110.859 177.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.7 m -170.75 160.92 7.17 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 127.461 2.304 . . . . 0.0 110.332 -175.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -73.78 142.7 46.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.192 0.997 . . . . 0.0 111.986 174.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.03 157.72 21.21 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.013 1.725 . . . . 0.0 111.49 -176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -161.17 163.15 31.42 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.971 1.708 . . . . 0.0 110.909 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 m -146.13 139.4 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.688 1.995 . . . . 0.0 110.622 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -165.07 161.46 19.7 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.96 1.704 . . . . 0.0 111.187 -175.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.6 t -160.57 141.53 11.89 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.273 1.429 . . . . 0.0 110.986 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -163.04 164.66 25.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.561 1.544 . . . . 0.0 112.659 -169.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -156.58 136.86 12.91 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.125 1.77 . . . . 0.0 110.388 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.7 p -165.57 167.47 17.34 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.863 1.265 . . . . 0.0 112.626 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -157.48 149.08 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.274 1.83 . . . . 0.0 110.672 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.64 159.43 38.44 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.041 1.336 . . . . 0.0 112.403 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 50.0 tttm -152.82 136.7 10.24 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.656 1.582 . . . . 0.0 110.482 -176.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -72.82 -17.26 25.82 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.213 2.608 . . . . 0.0 114.778 -170.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -162.64 150.37 13.85 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.362 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.39 -172.42 47.87 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 125.314 1.435 . . . . 0.0 113.146 174.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -69.92 136.06 31.61 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.569 2.846 . . . . 0.0 110.897 178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -101.57 1.35 37.79 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.036 1.334 . . . . 0.0 113.214 -175.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -129.31 157.79 40.92 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.848 1.659 . . . . 0.0 112.424 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -158.37 175.72 13.36 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.11 2.164 . . . . 0.0 110.337 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -149.75 157.26 43.05 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -160.07 146.33 15.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.751 2.021 . . . . 0.0 110.313 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.2 m -143.94 168.13 20.7 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.514 1.126 . . . . 0.0 112.201 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -156.36 164.23 38.54 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.402 1.481 . . . . 0.0 111.437 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -77.83 -1.11 29.94 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -171.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -78.97 81.75 5.22 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.635 1.174 . . . . 0.0 110.755 176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -112.75 2.73 16.16 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.574 1.549 . . . . 0.0 114.031 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -82.79 -4.73 58.37 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -176.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.81 16.31 65.89 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.089 0.852 . . . . 0.0 114.797 177.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 92.99 -126.88 8.76 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 124.978 1.275 . . . . 0.0 112.296 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -79.55 -169.02 37.41 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.806 1.193 . . . . 0.0 113.988 -178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.0 t -160.04 167.91 26.8 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.269 1.428 . . . . 0.0 111.459 -176.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -159.29 142.74 14.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.727 1.611 . . . . 0.0 111.418 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.49 136.63 13.83 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.863 1.265 . . . . 0.0 111.315 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -71.21 147.6 48.1 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.875 1.27 . . . . 0.0 112.29 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.09 15.65 0.27 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.025 1.33 . . . . 0.0 114.17 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.69 -26.47 63.43 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -173.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 m -75.71 151.55 37.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.536 1.135 . . . . 0.0 112.95 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 81.7 p -157.77 159.12 36.44 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.879 1.272 . . . . 0.0 111.96 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -78.6 143.09 36.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.812 0.845 . . . . 0.0 113.212 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -156.26 135.6 12.22 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.998 1.719 . . . . 0.0 110.446 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -163.13 160.28 24.08 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.372 1.469 . . . . 0.0 112.288 -174.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -162.37 158.33 23.84 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.898 1.679 . . . . 0.0 111.309 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 79.9 p -165.31 168.03 17.28 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.856 1.263 . . . . 0.0 112.328 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -156.75 135.1 11.35 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.84 1.656 . . . . 0.0 110.407 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -164.93 147.28 8.17 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.303 1.441 . . . . 0.0 110.585 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -157.12 157.38 34.39 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.992 1.717 . . . . 0.0 110.896 178.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.1 t -164.89 -48.49 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.414 1.086 . . . . 0.0 112.421 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -160.75 140.69 11.05 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.577 1.551 . . . . 0.0 111.05 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -167.51 157.95 11.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.827 1.651 . . . . 0.0 111.404 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -131.77 15.33 4.83 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.404 1.482 . . . . 0.0 112.311 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -84.29 110.1 18.31 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.171 1.388 . . . . 0.0 111.952 -175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.56 61.92 4.63 Favored Glycine 0 N--CA 1.47 0.943 0 C-N-CA 125.362 1.458 . . . . 0.0 113.204 -173.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -79.91 -2.22 42.77 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -59.8 143.27 51.55 Favored 'General case' 0 CA--C 1.547 0.839 0 O-C-N 121.008 -1.057 . . . . 0.0 112.091 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.7 m -149.05 145.64 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.168 1.387 . . . . 0.0 110.749 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 64.7 t -143.44 146.73 20.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 127.027 2.131 . . . . 0.0 107.133 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -54.27 95.07 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.511 1.524 . . . . 0.0 113.316 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 95.3 p -160.37 -116.69 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.978 1.711 . . . . 0.0 109.607 -173.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.87 73.79 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.553 -1.342 . . . . 0.0 112.948 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.36 -9.89 28.54 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.734 -1.229 . . . . 0.0 113.407 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -91.05 -14.1 31.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.5 1.12 . . . . 0.0 113.303 173.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -138.62 -13.02 1.31 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -169.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -74.82 -24.62 58.64 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.367 1.867 . . . . 0.0 111.54 171.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.21 148.14 37.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.804 1.242 . . . . 0.0 111.966 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.1 t70 70.57 2.17 3.98 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.028 2.131 . . . . 0.0 115.117 172.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -71.63 -2.57 17.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.04 1.336 . . . . 0.0 113.077 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -175.16 160.06 2.65 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 131.23 3.812 . . . . 0.0 106.417 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.0 tt0 -113.95 -15.67 12.3 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -109.82 -51.76 2.84 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 -169.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -81.48 -11.4 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 123.855 0.862 . . . . 0.0 112.387 175.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -18.57 32.16 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.212 -0.93 . . . . 0.0 113.003 171.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -56.02 -23.46 33.18 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -167.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -26.23 18.26 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 173.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.3 mt -69.29 -23.56 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.821 1.648 . . . . 0.0 111.274 -169.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 26.5 p -61.32 -42.45 98.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.418 1.087 . . . . 0.0 112.313 169.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -83.37 -47.14 11.77 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.369 1.467 . . . . 0.0 111.827 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.58 1.04 0.71 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 127.685 2.394 . . . . 0.0 117.195 172.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -85.61 -10.73 55.4 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.032 1.333 . . . . 0.0 112.788 -176.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -59.28 133.06 55.75 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.859 1.664 . . . . 0.0 113.569 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.0 m -85.77 138.24 32.22 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.564 1.146 . . . . 0.0 112.267 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 25.2 t70 70.56 -23.14 0.17 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 129.034 2.934 . . . . 0.0 114.153 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -66.67 -35.57 80.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.849 1.26 . . . . 0.0 112.627 175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -63.73 -38.46 91.18 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.092 1.315 . . . . 0.0 112.794 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 56.5 tp -63.78 -47.14 82.11 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 118.559 0.618 . . . . 0.0 110.999 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 86.2 m -66.2 -42.29 89.01 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.153 0.981 . . . . 0.0 112.579 -175.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.1 tt -69.77 -32.09 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.619 1.167 . . . . 0.0 111.014 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -69.69 -18.94 63.58 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.057 -1.027 . . . . 0.0 113.154 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -73.34 -13.48 61.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.365 -0.834 . . . . 0.0 112.977 172.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -117.45 -24.8 7.21 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 173.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.14 -18.97 65.74 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -44.64 -35.81 2.79 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.078 2.151 . . . . 0.0 113.463 169.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.2 mt -111.49 -14.94 13.63 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.015 1.726 . . . . 0.0 113.943 -177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 60.3 mt -84.32 -55.91 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 124.757 1.223 . . . . 0.0 110.463 177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.5 t -160.75 125.44 3.66 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -66.5 -22.83 66.18 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.09 0.556 . . . . 0.0 112.491 173.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.0 -41.49 99.6 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.007 0.923 . . . . 0.0 112.101 -178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -57.15 -41.63 79.51 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.687 0.795 . . . . 0.0 111.031 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 14.3 t -56.23 -35.66 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 124.661 1.184 . . . . 0.0 111.348 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -70.48 -31.0 67.95 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.9 65.11 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.952 0.796 . . . . 0.0 112.968 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -88.19 -25.79 22.73 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 24.6 tp60 -98.51 -42.21 7.41 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 119.386 0.994 . . . . 0.0 111.842 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 66.41 23.16 10.65 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.804 2.041 . . . . 0.0 114.242 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -86.44 81.14 8.43 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.843 0.857 . . . . 0.0 109.859 168.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -83.91 -5.33 59.19 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -176.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 79.06 10.86 85.74 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.77 1.176 . . . . 0.0 114.651 175.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.192 1.797 . . . . 0.0 114.007 -179.165 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 41.2 m . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.79 161.98 18.24 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.155 1.382 . . . . 0.0 111.628 -169.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 t -162.28 150.27 14.44 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.39 1.476 . . . . 0.0 110.686 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -148.11 143.62 27.27 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.846 1.658 . . . . 0.0 110.659 -175.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.7 mp -100.21 125.29 46.35 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.27 . . . . 0.0 108.784 172.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -163.18 151.22 13.6 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.235 1.414 . . . . 0.0 111.519 -171.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -160.32 160.33 32.34 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.503 1.521 . . . . 0.0 110.94 179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.79 128.13 34.68 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.724 0.81 . . . . 0.0 110.87 177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 m -168.04 160.63 12.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.903 2.081 . . . . 0.0 110.596 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -158.47 159.02 35.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.452 1.501 . . . . 0.0 112.301 -175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -160.96 155.87 23.98 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.282 1.833 . . . . 0.0 110.926 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -161.03 156.45 24.68 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.847 1.259 . . . . 0.0 111.95 -176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -158.29 150.42 21.79 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.92 1.688 . . . . 0.0 111.326 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -159.37 153.62 23.75 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.172 1.789 . . . . 0.0 111.031 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -161.93 143.39 11.0 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 111.271 -176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -146.89 149.32 33.02 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.898 1.679 . . . . 0.0 110.525 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.4 t -81.92 76.15 8.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 121.949 0.88 . . . . 0.0 111.11 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -143.04 144.23 32.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.233 1.813 . . . . 0.0 110.359 -178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 t -164.16 179.99 6.53 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.213 1.405 . . . . 0.0 111.519 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -74.87 144.73 43.25 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.363 1.465 . . . . 0.0 111.609 178.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 92.6 p -155.24 176.05 13.07 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.286 1.434 . . . . 0.0 112.206 -176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -153.26 140.54 19.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.236 1.414 . . . . 0.0 110.494 -175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.81 172.39 13.81 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.963 1.305 . . . . 0.0 113.548 -177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -152.78 162.13 41.66 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.026 1.731 . . . . 0.0 111.017 -179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.1 p -163.43 149.43 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.056 1.742 . . . . 0.0 110.615 -171.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -152.5 150.13 29.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.691 1.597 . . . . 0.0 111.17 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 86.8 p -161.75 171.66 17.48 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.149 1.38 . . . . 0.0 112.615 -171.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.86 150.63 28.6 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.737 1.615 . . . . 0.0 111.222 -174.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.04 149.33 21.23 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.554 1.541 . . . . 0.0 111.66 -173.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.1 m -146.82 164.09 33.96 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.513 1.525 . . . . 0.0 112.229 -171.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -147.09 139.58 24.79 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.508 . . . . 0.0 111.128 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -163.83 177.27 8.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.054 1.742 . . . . 0.0 111.415 -173.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -56.08 139.05 72.33 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 124.065 0.946 . . . . 0.0 112.286 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -64.08 12.99 0.09 OUTLIER 'Trans proline' 0 CA--C 1.548 1.206 0 C-N-CA 125.103 3.869 . . . . 0.0 115.931 169.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 -166.45 -178.35 4.43 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.768 2.427 . . . . 0.0 110.73 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -80.63 -135.69 1.61 Allowed Glycine 0 CA--C 1.544 1.882 0 C-N-CA 125.191 1.376 . . . . 0.0 113.052 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.46 152.41 47.44 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.849 3.033 . . . . 0.0 112.698 171.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.39 -16.75 62.42 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -167.69 175.1 7.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 127.101 2.16 . . . . 0.0 111.705 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -156.16 153.15 28.81 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.443 1.497 . . . . 0.0 111.013 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.58 131.55 35.21 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.87 0.868 . . . . 0.0 111.967 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -159.06 117.68 2.92 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.791 1.636 . . . . 0.0 110.194 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.0 p -171.74 173.45 4.58 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.286 1.434 . . . . 0.0 111.713 -170.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -159.19 162.06 36.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.976 1.71 . . . . 0.0 110.734 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -158.26 168.11 27.94 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.236 1.414 . . . . 0.0 112.025 -175.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 ttt85 -157.43 149.98 22.98 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.775 1.63 . . . . 0.0 110.73 -177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -147.97 172.11 14.73 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.731 1.612 . . . . 0.0 112.569 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -66.58 133.97 51.39 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.347 1.059 . . . . 0.0 111.323 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 143.88 163.99 10.17 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 125.372 1.463 . . . . 0.0 113.481 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 74.0 -160.79 53.59 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.51 1.052 . . . . 0.0 113.351 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -165.94 141.19 6.82 Favored Glycine 0 N--CA 1.471 0.992 0 C-N-CA 124.675 1.131 . . . . 0.0 112.725 177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.3 p -77.94 -7.08 56.3 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -154.47 140.75 18.6 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.28 1.832 . . . . 0.0 110.18 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -104.95 140.01 38.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.572 1.149 . . . . 0.0 111.68 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -73.86 148.58 42.21 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.532 1.133 . . . . 0.0 112.065 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.3 tp -159.88 92.88 1.04 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.198 1.399 . . . . 0.0 110.024 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -62.89 -17.0 61.05 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 m -66.8 -13.98 62.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.916 1.286 . . . . 0.0 113.634 172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.9 m -79.64 4.48 15.92 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.436 1.094 . . . . 0.0 113.368 171.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -135.11 167.88 20.16 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.634 1.974 . . . . 0.0 111.514 -177.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -155.35 -42.52 0.08 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.327 1.051 . . . . 0.0 113.508 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -161.02 155.63 23.51 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.396 1.478 . . . . 0.0 111.437 -178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.0 p -153.03 5.7 0.36 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.678 1.991 . . . . 0.0 113.349 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.7 m -80.86 155.47 26.55 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.703 -1.248 . . . . 0.0 113.486 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -157.28 146.79 20.3 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.165 1.786 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.7 137.86 7.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.857 1.263 . . . . 0.0 110.821 -170.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.06 4.06 3.48 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.742 1.617 . . . . 0.0 113.782 -173.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -162.79 -178.15 5.97 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.889 1.675 . . . . 0.0 111.177 -175.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -152.11 131.23 12.69 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.79 1.636 . . . . 0.0 111.497 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -150.6 169.53 21.34 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.033 2.133 . . . . 0.0 110.107 -176.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -136.89 128.93 29.42 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.007 1.323 . . . . 0.0 110.165 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -169.82 176.72 4.7 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.73 2.412 . . . . 0.0 110.736 -170.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.65 137.2 18.49 Favored Glycine 0 CA--C 1.527 0.823 0 C-N-CA 123.8 0.714 . . . . 0.0 111.417 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -137.32 4.69 2.68 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.73 1.212 . . . . 0.0 113.925 -169.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -162.58 162.27 27.13 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.799 1.64 . . . . 0.0 112.768 -172.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.8 m -73.5 158.58 6.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 124.241 1.016 . . . . 0.0 111.368 170.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 23.2 m -142.68 154.41 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 125.765 1.626 . . . . 0.0 110.594 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -143.62 121.11 11.72 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.6 1.56 . . . . 0.0 110.165 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p 174.06 -99.1 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 127.743 2.417 . . . . 0.0 110.428 -177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -80.71 -19.96 43.92 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.321 1.049 . . . . 0.0 113.491 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -53.21 -40.83 64.76 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.597 1.159 . . . . 0.0 111.26 174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -68.34 -17.87 64.36 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.33 1.852 . . . . 0.0 113.836 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.63 -24.11 14.16 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.798 1.239 . . . . 0.0 112.902 173.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -84.29 -34.39 23.78 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.528 2.331 . . . . 0.0 112.229 -176.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.8 tp -58.53 137.77 57.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.923 1.689 . . . . 0.0 111.338 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 20.4 t70 80.66 3.26 1.75 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 127.839 2.456 . . . . 0.0 114.576 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -76.47 1.83 15.43 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.078 -1.014 . . . . 0.0 113.405 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -170.46 161.54 7.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 129.596 3.158 . . . . 0.0 108.096 -171.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -115.64 -13.09 11.5 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -173.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -109.65 -50.94 2.93 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.282 -0.887 . . . . 0.0 113.393 -169.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.0 p -88.12 -3.63 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.742 1.217 . . . . 0.0 112.519 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -12.18 41.66 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.103 -0.998 . . . . 0.0 113.101 170.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -22.6 64.83 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -167.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.58 -19.96 21.39 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 169.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 37.7 mt -71.37 -25.08 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 111.017 -168.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.4 p -72.62 -8.32 54.67 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.48 1.512 . . . . 0.0 113.984 171.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -112.87 -60.44 1.88 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.425 1.49 . . . . 0.0 109.876 178.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 63.53 0.89 0.91 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.467 2.307 . . . . 0.0 116.773 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -78.59 -2.64 39.88 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.158 1.783 . . . . 0.0 113.219 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -65.55 154.86 37.48 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.949 1.3 . . . . 0.0 113.38 -169.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 52.5 p -113.5 9.86 18.1 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -169.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -157.1 -48.88 0.07 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -66.3 -14.46 62.04 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -172.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.0 m95 -59.05 -30.15 67.83 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.428 1.091 . . . . 0.0 112.337 169.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 67.5 tp -68.5 -54.48 16.58 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.36 0.664 . . . . 0.0 110.323 170.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 23.3 m -57.31 -41.36 79.75 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.847 1.259 . . . . 0.0 111.869 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.6 tt -72.92 -30.65 33.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.358 0.663 . . . . 0.0 112.483 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 27.7 p -65.03 -24.03 67.37 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.089 -1.007 . . . . 0.0 112.721 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -74.59 -16.9 60.78 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.421 0.688 . . . . 0.0 112.463 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -95.82 -43.3 7.92 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.928 1.291 . . . . 0.0 110.494 174.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -69.01 -14.0 62.78 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -51.04 -32.89 23.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.063 1.345 . . . . 0.0 111.891 166.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 99.0 mt -117.47 -28.99 5.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.169 1.788 . . . . 0.0 113.77 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.6 mt -73.25 -60.26 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 CA-C-N 119.505 1.048 . . . . 0.0 110.909 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 15.9 t -155.6 118.27 4.23 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -177.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -64.81 -19.79 66.04 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.424 0.689 . . . . 0.0 112.828 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.28 -40.05 89.07 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.726 1.148 . . . . 0.0 111.664 175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.45 -43.07 82.01 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.174 0.443 . . . . 0.0 110.663 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.44 -42.83 85.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 123.697 0.799 . . . . 0.0 110.44 174.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -69.31 -26.52 64.77 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 176.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.09 -40.21 86.9 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.645 1.111 . . . . 0.0 111.746 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -85.51 -29.5 24.19 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -94.35 -30.95 14.24 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.015 0.825 . . . . 0.0 112.738 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 59.94 30.77 20.27 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 127.206 2.203 . . . . 0.0 113.942 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -82.45 126.36 32.13 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.228 1.011 . . . . 0.0 110.939 169.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -140.27 1.73 1.82 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.699 1.6 . . . . 0.0 113.975 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 93.59 108.24 1.94 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.969 1.747 . . . . 0.0 111.016 -175.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--O 1.254 1.307 0 C-N-CA 126.478 1.911 . . . . 0.0 111.909 -177.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 m . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.73 150.74 37.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.822 1.649 . . . . 0.0 110.192 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 m -164.46 149.67 10.09 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.152 1.781 . . . . 0.0 110.819 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -158.35 140.58 14.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.253 1.821 . . . . 0.0 108.705 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 63.0 tp -154.61 124.07 6.49 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.106 1.362 . . . . 0.0 110.302 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -165.95 137.88 3.9 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.313 1.845 . . . . 0.0 110.353 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -163.25 132.45 4.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.714 1.206 . . . . 0.0 110.443 -176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -150.25 12.03 0.73 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 124.616 1.166 . . . . 0.0 113.861 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.8 m 67.49 176.97 0.25 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.852 2.061 . . . . 0.0 114.258 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -156.23 128.13 7.39 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.805 1.642 . . . . 0.0 110.488 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -166.95 165.83 15.73 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.224 1.809 . . . . 0.0 110.968 -173.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.1 p -149.85 140.61 22.69 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.048 1.339 . . . . 0.0 111.75 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -166.18 177.51 6.88 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.657 1.583 . . . . 0.0 111.606 -169.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -133.46 156.06 48.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.733 1.613 . . . . 0.0 110.742 177.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -66.67 -22.55 66.09 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -163.3 153.63 15.93 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.606 1.962 . . . . 0.0 109.672 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.6 p -139.72 -2.56 1.54 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.454 1.501 . . . . 0.0 114.352 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -152.5 161.03 43.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.891 1.276 . . . . 0.0 112.188 176.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.2 p -163.93 178.88 7.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.92 1.288 . . . . 0.0 112.187 -172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -125.62 132.18 52.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.443 1.497 . . . . 0.0 109.878 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.1 t -167.05 -176.57 3.42 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.135 1.774 . . . . 0.0 110.518 -175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -154.47 124.51 6.77 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.246 1.419 . . . . 0.0 110.308 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.0 61.71 5.42 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.127 1.371 . . . . 0.0 111.829 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.99 36.52 0.09 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.899 2.08 . . . . 0.0 113.991 -173.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.1 p -170.15 137.15 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 127.962 2.505 . . . . 0.0 109.431 -176.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -163.05 136.5 5.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.534 1.534 . . . . 0.0 110.955 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -150.67 140.6 21.94 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.471 1.509 . . . . 0.0 111.132 -176.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -161.75 141.31 10.05 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.656 1.582 . . . . 0.0 111.023 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -162.06 138.8 8.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.805 1.642 . . . . 0.0 111.173 -177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.8 p -166.71 167.76 14.93 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.496 1.518 . . . . 0.0 112.087 -176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -157.67 157.49 33.64 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.68 1.592 . . . . 0.0 111.965 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.01 159.29 29.23 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.692 1.597 . . . . 0.0 111.455 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -64.45 129.09 94.01 Favored Pre-proline 0 CA--C 1.556 1.189 0 C-N-CA 123.791 0.836 . . . . 0.0 111.445 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.09 -16.11 14.26 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.175 2.583 . . . . 0.0 114.684 -171.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -141.1 134.62 29.95 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.513 1.125 . . . . 0.0 111.643 -177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.38 50.09 61.73 Favored Glycine 0 CA--C 1.541 1.715 0 CA-C-O 117.529 -1.706 . . . . 0.0 114.897 -178.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -70.5 176.85 6.76 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 123.691 2.928 . . . . 0.0 111.76 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -68.78 128.54 37.02 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.304 1.042 . . . . 0.0 111.703 173.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -163.44 176.85 9.4 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.317 1.847 . . . . 0.0 112.617 -172.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -156.43 174.76 14.95 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.017 1.727 . . . . 0.0 111.313 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -150.46 158.2 43.89 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.867 1.267 . . . . 0.0 112.939 -178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -158.25 121.31 3.85 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.728 1.611 . . . . 0.0 110.458 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 65.3 p -172.04 169.06 5.73 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.339 1.456 . . . . 0.0 111.603 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.63 1.97 0.71 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.698 1.199 . . . . 0.0 114.16 -179.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -69.3 152.63 44.76 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.565 1.146 . . . . 0.0 112.874 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -160.09 146.4 15.75 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 126.647 1.979 . . . . 0.0 110.412 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -58.41 148.2 28.78 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.511 1.124 . . . . 0.0 113.109 -175.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -127.95 143.09 51.09 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.369 1.467 . . . . 0.0 110.298 -174.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -89.48 -1.05 78.62 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.438 1.018 . . . . 0.0 114.729 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.36 -63.47 4.15 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.58 1.562 . . . . 0.0 111.835 -175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.64 -154.79 31.38 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 125.544 1.545 . . . . 0.0 112.202 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 80.1 p -158.9 160.14 35.77 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.094 1.358 . . . . 0.0 111.907 -178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -160.96 146.89 14.63 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.135 1.374 . . . . 0.0 111.607 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mtmt -137.95 161.08 37.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.834 1.654 . . . . 0.0 112.045 -175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -131.61 -22.14 2.44 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.724 1.609 . . . . 0.0 113.706 -174.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp 61.9 63.32 1.13 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.817 2.047 . . . . 0.0 111.2 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -142.17 149.77 40.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.664 1.586 . . . . 0.0 112.574 -173.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.8 m -152.52 158.37 42.44 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.889 1.676 . . . . 0.0 110.689 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 19.7 t -161.11 -35.88 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.784 1.233 . . . . 0.0 113.933 -175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -165.48 126.69 1.95 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.962 1.305 . . . . 0.0 111.961 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -79.87 -1.69 40.23 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 116.099 1.889 . . . . 0.0 116.099 -173.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -134.84 -24.25 1.5 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.756 1.223 . . . . 0.0 113.889 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 49.7 m -111.16 8.16 21.55 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.44 1.496 . . . . 0.0 113.25 178.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.9 t -156.81 -171.69 3.76 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.394 1.478 . . . . 0.0 111.702 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -114.91 113.7 24.51 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.204 1.802 . . . . 0.0 110.699 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -90.25 140.96 29.18 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.305 1.442 . . . . 0.0 111.183 -176.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -152.89 63.6 0.78 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.204 1.402 . . . . 0.0 109.756 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.4 t -162.65 132.34 4.41 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.445 1.498 . . . . 0.0 109.734 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -167.15 -179.35 4.54 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.389 1.476 . . . . 0.0 111.519 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.26 159.36 31.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.521 1.129 . . . . 0.0 111.76 169.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.79 -16.17 63.24 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -171.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -169.04 163.26 11.24 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.957 2.103 . . . . 0.0 111.781 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.98 158.33 14.55 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.709 1.623 . . . . 0.0 111.015 169.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -131.03 -12.21 3.67 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -172.41 171.73 4.61 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.825 2.05 . . . . 0.0 111.678 -171.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.4 p -161.82 141.21 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 125.667 1.587 . . . . 0.0 110.084 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.8 p -166.14 141.86 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.117 1.367 . . . . 0.0 110.43 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt 49.8 50.09 18.99 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.105 1.762 . . . . 0.0 113.501 172.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.5 p -147.96 -171.1 3.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.86 1.264 . . . . 0.0 112.06 -172.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.61 -19.8 4.39 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.631 1.572 . . . . 0.0 115.095 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -61.14 -26.59 67.79 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.095 0.958 . . . . 0.0 112.767 172.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -62.3 -22.14 65.8 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.451 1.1 . . . . 0.0 113.331 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -113.57 13.35 18.75 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.562 1.545 . . . . 0.0 113.012 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -110.44 -26.74 9.36 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.063 1.345 . . . . 0.0 114.208 -168.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.24 133.53 56.18 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.246 0.93 . . . . 0.0 110.966 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.7 t70 71.35 13.81 6.54 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.516 2.326 . . . . 0.0 114.826 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -72.5 -6.92 47.16 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 121.05 -1.031 . . . . 0.0 111.993 168.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.83 158.95 29.27 Favored 'General case' 0 CA--C 1.544 0.749 1 C-N-CA 132.522 4.329 . . . . 0.0 105.96 175.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -126.86 15.28 7.45 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 -167.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -118.18 -68.91 0.88 Allowed 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.109 -0.995 . . . . 0.0 111.137 172.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.6 p -64.37 -22.53 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.15 1.38 . . . . 0.0 113.075 -176.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -18.25 61.66 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 178.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -61.56 -15.54 39.58 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -170.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.44 -23.13 26.15 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.319 1.229 . . . . 0.0 114.319 171.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 56.6 mt -71.83 -20.05 20.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 126.199 1.8 . . . . 0.0 111.827 -169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 46.2 p -71.78 -9.46 58.33 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 120.644 -1.285 . . . . 0.0 113.97 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -116.82 -62.22 1.61 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.211 1.804 . . . . 0.0 109.195 177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.2 10.15 7.65 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 166.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -92.45 5.25 51.44 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 119.489 1.041 . . . . 0.0 112.977 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -77.8 93.22 4.3 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.878 -1.139 . . . . 0.0 111.932 -176.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.2 m -67.65 -12.02 59.52 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -95.0 -12.97 25.7 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.43 1.092 . . . . 0.0 112.765 176.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -97.94 -31.5 12.15 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.915 1.286 . . . . 0.0 113.594 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.36 -25.85 66.17 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -174.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 63.8 tp -74.91 -49.5 20.04 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.782 0.719 . . . . 0.0 111.034 169.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 36.9 m -61.97 -37.31 84.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.966 0.907 . . . . 0.0 111.763 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.6 tt -72.73 -34.44 47.2 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.973 0.909 . . . . 0.0 112.674 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 83.9 p -71.3 -19.29 62.34 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.768 -1.208 . . . . 0.0 112.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -71.13 -19.71 62.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.169 0.588 . . . . 0.0 112.218 170.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.69 -45.12 7.15 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.951 1.3 . . . . 0.0 111.042 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -67.35 -14.08 62.6 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -174.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -48.73 -32.33 8.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.71 2.004 . . . . 0.0 113.191 167.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.92 -17.6 9.04 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.714 1.605 . . . . 0.0 114.034 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 73.8 mt -86.27 -59.04 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.539 1.136 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.2 t -156.47 116.4 3.58 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -68.53 -15.17 63.45 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.698 -0.626 . . . . 0.0 112.63 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.8 mt -60.35 -40.15 89.7 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.415 1.007 . . . . 0.0 111.675 172.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.96 -44.45 80.52 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.366 0.53 . . . . 0.0 110.938 178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.59 -41.73 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.397 0.679 . . . . 0.0 110.407 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -68.98 -28.92 67.05 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 175.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.38 -36.63 81.74 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 119.095 0.861 . . . . 0.0 112.565 179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -86.56 -27.59 23.84 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.21 0.818 . . . . 0.0 113.21 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -84.53 -40.7 17.3 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.765 0.826 . . . . 0.0 112.383 -178.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 55.95 46.41 22.0 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.582 1.953 . . . . 0.0 113.509 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -78.35 63.23 3.18 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.915 1.286 . . . . 0.0 112.03 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -88.34 -11.35 46.54 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.905 1.282 . . . . 0.0 114.167 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.64 15.18 76.42 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.901 1.239 . . . . 0.0 114.432 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.326 1.851 . . . . 0.0 111.874 -175.015 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.37 0.137 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -144.4 152.22 40.38 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.907 1.683 . . . . 0.0 110.183 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -161.85 162.09 29.22 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.105 1.362 . . . . 0.0 111.401 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -161.39 159.44 28.24 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.733 2.013 . . . . 0.0 111.011 -174.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 pp -157.64 173.43 16.87 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.607 1.563 . . . . 0.0 112.208 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -160.21 149.09 17.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.378 1.871 . . . . 0.0 110.317 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -142.96 135.79 27.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.863 1.265 . . . . 0.0 110.464 -176.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -163.07 136.22 5.69 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.926 1.69 . . . . 0.0 109.566 -177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.8 p -126.01 1.37 7.27 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.301 1.222 . . . . 0.0 114.301 -172.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -162.31 146.68 12.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.037 1.735 . . . . 0.0 111.263 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -160.06 137.63 9.71 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.992 1.717 . . . . 0.0 110.746 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 99.9 p -167.44 176.74 6.4 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.103 1.361 . . . . 0.0 112.405 -172.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -133.6 156.54 47.66 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.779 1.632 . . . . 0.0 111.27 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -66.62 149.76 50.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.398 1.079 . . . . 0.0 112.588 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -72.48 138.41 47.0 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.996 0.918 . . . . 0.0 112.058 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -158.68 131.29 6.99 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.575 1.55 . . . . 0.0 109.601 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.3 t -165.89 164.47 18.54 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.458 1.503 . . . . 0.0 111.078 -177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -143.41 8.59 1.58 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.9 m -69.45 -4.55 19.13 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.086 -1.634 . . . . 0.0 115.094 -169.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 -10.75 59.83 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.119 1.368 . . . . 0.0 112.263 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.6 m -134.89 169.45 17.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.482 1.513 . . . . 0.0 112.82 -172.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -157.89 150.34 22.47 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.741 1.616 . . . . 0.0 110.741 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -163.71 167.37 21.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.561 1.544 . . . . 0.0 112.073 -174.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.19 159.44 37.71 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.429 1.892 . . . . 0.0 110.551 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 p -165.65 142.25 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.912 1.685 . . . . 0.0 110.962 -172.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -160.35 141.41 12.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.125 1.77 . . . . 0.0 110.578 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.5 m -164.09 149.7 10.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.33 1.852 . . . . 0.0 111.226 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.93 150.55 15.32 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.009 1.724 . . . . 0.0 111.058 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -156.93 131.3 8.57 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.55 1.54 . . . . 0.0 110.885 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.6 t -168.5 -177.27 3.1 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.858 1.663 . . . . 0.0 111.097 -175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -153.57 139.3 17.96 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.139 1.776 . . . . 0.0 111.194 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.66 156.52 30.12 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.998 1.719 . . . . 0.0 110.705 -178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -141.48 149.13 53.26 Favored Pre-proline 0 CA--C 1.552 1.041 0 C-N-CA 124.653 1.181 . . . . 0.0 112.046 -170.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -66.26 -10.88 29.05 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 123.782 2.988 . . . . 0.0 114.844 175.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -155.39 150.61 26.91 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.482 1.913 . . . . 0.0 110.716 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 106.39 -100.04 1.57 Allowed Glycine 0 CA--C 1.535 1.292 0 CA-C-O 117.726 -1.597 . . . . 0.0 111.374 -175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.93 -25.01 39.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.358 2.705 . . . . 0.0 113.285 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.87 -11.79 60.04 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 124.788 1.235 . . . . 0.0 113.489 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -107.68 165.06 11.71 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.89 1.676 . . . . 0.0 112.337 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -156.65 156.97 34.39 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.734 1.614 . . . . 0.0 111.036 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.11 139.18 30.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 111.34 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -161.22 148.78 15.22 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.937 1.695 . . . . 0.0 111.723 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.9 p -172.36 -178.54 2.04 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.613 1.565 . . . . 0.0 111.211 -170.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -146.16 131.4 18.47 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.29 1.436 . . . . 0.0 109.434 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -164.02 167.98 19.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.614 1.566 . . . . 0.0 111.718 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -163.38 164.31 24.73 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.126 1.77 . . . . 0.0 111.683 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -64.05 151.54 42.72 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.963 0.905 . . . . 0.0 112.051 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -69.66 151.47 45.85 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.634 0.774 . . . . 0.0 111.876 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.52 -170.29 43.39 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.338 0.971 . . . . 0.0 113.859 -177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 88.75 -11.7 67.92 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 125.243 1.402 . . . . 0.0 114.753 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.95 166.76 31.36 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.325 1.44 . . . . 0.0 112.546 172.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.1 p -163.94 164.21 23.31 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.92 1.288 . . . . 0.0 112.229 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -161.86 165.45 27.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.129 1.771 . . . . 0.0 111.601 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -157.04 137.16 12.69 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.108 1.363 . . . . 0.0 111.312 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -153.21 85.01 1.2 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.318 1.447 . . . . 0.0 110.416 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -171.42 102.76 0.2 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.522 2.329 . . . . 0.0 108.101 -177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -157.16 144.74 18.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.515 1.526 . . . . 0.0 111.525 -174.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.3 m -64.46 134.19 54.0 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.408 1.083 . . . . 0.0 112.323 171.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.2 p -122.96 7.85 9.29 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.166 1.386 . . . . 0.0 113.879 -172.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -155.75 147.93 23.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.44 1.496 . . . . 0.0 111.618 -174.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -158.16 175.13 14.17 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.066 1.747 . . . . 0.0 111.832 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -147.46 133.8 19.58 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.166 1.386 . . . . 0.0 110.989 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -168.77 179.99 3.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.16 1.784 . . . . 0.0 110.856 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.9 m -160.4 129.51 4.94 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.665 1.986 . . . . 0.0 110.464 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -92.19 -18.12 23.93 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.074 1.139 . . . . 0.0 114.074 -171.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -163.61 135.63 5.01 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.411 1.484 . . . . 0.0 110.816 -175.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -164.17 132.08 3.45 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.204 1.802 . . . . 0.0 109.677 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.2 t -165.02 162.41 20.41 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.045 1.338 . . . . 0.0 111.965 178.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -133.6 17.78 3.94 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.071 2.148 . . . . 0.0 111.472 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.89 -3.14 20.74 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 -170.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -160.35 139.91 11.01 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.99 1.716 . . . . 0.0 109.424 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -77.18 6.34 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 114.435 1.272 . . . . 0.0 114.435 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.08 -112.13 4.37 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.356 1.455 . . . . 0.0 111.504 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -162.87 126.39 2.88 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.334 1.853 . . . . 0.0 108.475 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -85.32 132.49 34.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.823 0.849 . . . . 0.0 109.951 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 60.4 t -140.03 128.89 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.182 0.993 . . . . 0.0 110.789 -169.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.0 p -95.25 -18.43 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 125.115 1.366 . . . . 0.0 113.699 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -148.83 113.03 5.22 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.146 1.378 . . . . 0.0 111.008 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.2 p 176.46 -157.71 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.605 2.362 . . . . 0.0 109.525 -172.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.6 -14.91 0.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.985 1.314 . . . . 0.0 113.832 168.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -53.04 -33.18 50.74 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.647 1.179 . . . . 0.0 112.367 169.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -63.86 -37.87 88.98 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.384 1.074 . . . . 0.0 112.315 -179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -85.64 -25.75 26.42 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.097 0.959 . . . . 0.0 112.776 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -74.32 -28.52 61.2 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.882 1.673 . . . . 0.0 112.646 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.69 23.73 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.186 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -131.37 -1.64 3.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.173 1.789 . . . . 0.0 113.335 176.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -87.55 -10.2 52.28 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 -171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.09 175.82 3.66 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 126.911 2.084 . . . . 0.0 110.66 -170.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 25.7 tt0 -132.48 -0.44 3.59 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.85 1.26 . . . . 0.0 113.527 -175.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -122.07 -64.43 1.21 Allowed 'General case' 0 N--CA 1.48 1.063 0 O-C-N 120.873 -1.142 . . . . 0.0 112.661 -172.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.5 p -67.88 -7.11 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 124.502 1.121 . . . . 0.0 112.081 170.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -89.14 -16.92 30.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.577 1.551 . . . . 0.0 113.568 174.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.11 -16.89 64.2 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -167.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.7 -24.94 20.28 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.566 1.146 . . . . 0.0 113.185 170.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 57.8 mt -70.1 -23.99 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 125.193 1.397 . . . . 0.0 112.058 -169.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.8 p -74.29 -7.33 52.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.454 1.502 . . . . 0.0 113.975 170.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -114.09 -54.75 2.57 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.948 1.699 . . . . 0.0 109.437 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.33 10.05 5.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.463 2.305 . . . . 0.0 116.428 169.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -84.85 -10.82 56.78 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.374 0.988 . . . . 0.0 112.957 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -81.87 91.27 6.51 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -169.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 10.9 m -59.02 -25.86 64.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.058 0.943 . . . . 0.0 112.7 170.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -78.1 -9.87 59.36 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.564 1.945 . . . . 0.0 113.869 177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -115.82 -34.43 4.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.168 1.387 . . . . 0.0 113.303 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.27 -26.03 62.47 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.38 -55.64 7.58 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 119.133 0.879 . . . . 0.0 111.189 170.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.5 m -65.65 -37.52 86.77 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.096 1.359 . . . . 0.0 112.263 -173.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.0 tt -67.84 -35.64 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.308 0.643 . . . . 0.0 111.374 177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.1 m -73.9 -18.04 60.96 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.306 -0.871 . . . . 0.0 112.866 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -70.6 -22.17 62.58 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.851 -0.531 . . . . 0.0 112.197 169.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -96.17 -41.15 8.84 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.788 1.235 . . . . 0.0 111.455 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -65.67 -18.56 65.41 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -171.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -47.05 -33.82 5.21 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.429 1.892 . . . . 0.0 112.864 168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 97.4 mt -114.2 -17.86 11.77 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.179 1.792 . . . . 0.0 113.776 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.7 mt -79.61 -57.87 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 119.293 0.951 . . . . 0.0 110.492 176.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.9 t -159.21 122.2 3.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 -176.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -65.63 -19.94 66.11 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.216 0.607 . . . . 0.0 112.62 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -63.58 -35.4 80.36 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.704 1.138 . . . . 0.0 111.979 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -68.73 -43.62 75.53 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 118.689 0.677 . . . . 0.0 110.799 176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.62 -40.29 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 123.727 0.811 . . . . 0.0 110.642 174.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -70.09 -33.45 71.9 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.86 -37.43 81.83 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.033 0.933 . . . . 0.0 112.588 -176.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -79.3 -20.26 48.42 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 175.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -91.72 -43.32 9.64 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.37 0.986 . . . . 0.0 112.376 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 61.84 54.35 2.9 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.722 1.609 . . . . 0.0 110.313 -174.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -57.7 -16.62 11.45 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 -168.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -78.21 -24.49 47.05 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 127.377 2.271 . . . . 0.0 113.368 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 69.91 21.33 76.7 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.19 1.376 . . . . 0.0 115.987 168.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 36.4 p . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.238 1.415 . . . . 0.0 113.847 -176.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.8 m . . . . . 0 N--CA 1.479 0.989 0 CA-C-O 120.46 0.171 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.86 165.54 11.64 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.425 1.89 . . . . 0.0 110.674 -172.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.3 m -160.88 149.89 16.71 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 126.082 1.753 . . . . 0.0 110.742 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.41 162.13 38.9 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.913 1.685 . . . . 0.0 110.767 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -148.03 126.67 12.52 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.552 1.541 . . . . 0.0 109.257 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -126.62 8.83 7.02 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.804 1.242 . . . . 0.0 113.374 -174.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -70.99 -24.78 62.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.086 0.954 . . . . 0.0 111.968 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -144.14 112.41 6.4 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.587 1.955 . . . . 0.0 107.712 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.7 p -156.18 18.44 0.36 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -168.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.25 141.85 25.48 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.244 1.418 . . . . 0.0 112.014 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -163.26 156.54 19.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.913 2.085 . . . . 0.0 110.32 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.4 t -159.64 156.18 27.46 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.434 1.093 . . . . 0.0 112.549 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -157.45 146.56 19.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.106 1.763 . . . . 0.0 110.973 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -162.66 162.68 27.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.25 1.82 . . . . 0.0 111.088 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -157.26 128.89 6.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.845 1.258 . . . . 0.0 111.059 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -149.78 151.43 33.57 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.285 1.834 . . . . 0.0 110.137 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.6 m -65.47 130.35 42.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.061 0.944 . . . . 0.0 112.427 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -160.83 142.02 11.85 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.576 1.55 . . . . 0.0 109.963 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -161.65 -179.73 7.5 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.325 1.45 . . . . 0.0 111.421 -179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.11 136.62 50.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.16 1.384 . . . . 0.0 111.211 178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -75.4 157.53 34.03 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -157.81 140.15 14.46 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.812 1.645 . . . . 0.0 110.009 -175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.34 153.98 41.19 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.471 1.108 . . . . 0.0 113.405 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -74.14 167.79 20.86 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.433 1.493 . . . . 0.0 113.159 174.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.6 p -156.14 142.25 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.374 1.47 . . . . 0.0 110.562 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -162.9 171.12 17.11 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.741 2.016 . . . . 0.0 110.408 -173.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -145.55 134.29 22.29 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.592 1.157 . . . . 0.0 111.896 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -165.31 160.78 18.62 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.367 2.267 . . . . 0.0 110.202 -172.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -152.43 149.92 29.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.777 1.231 . . . . 0.0 113.024 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -167.2 176.8 6.54 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.892 2.077 . . . . 0.0 110.144 -178.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -159.11 157.97 32.03 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.473 1.509 . . . . 0.0 112.897 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -159.0 146.41 17.49 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.279 1.832 . . . . 0.0 110.346 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -69.99 121.92 84.44 Favored Pre-proline 0 CA--C 1.554 1.126 0 CA-C-O 118.523 -0.751 . . . . 0.0 111.18 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.95 -23.55 6.59 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.967 2.445 . . . . 0.0 114.112 -169.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -147.76 139.76 24.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.07 1.348 . . . . 0.0 111.256 -177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 76.2 85.37 0.39 Allowed Glycine 0 CA--C 1.538 1.475 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.241 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -73.78 172.62 15.46 Favored 'Trans proline' 0 CA--C 1.538 0.719 0 C-N-CA 123.798 2.999 . . . . 0.0 112.236 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -143.93 141.5 30.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.464 1.505 . . . . 0.0 111.225 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -85.93 151.41 23.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.904 1.281 . . . . 0.0 114.068 -169.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -150.64 139.55 20.92 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.49 1.916 . . . . 0.0 109.196 175.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -141.46 152.16 43.98 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.088 1.355 . . . . 0.0 112.173 -173.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.95 156.81 27.79 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.205 1.802 . . . . 0.0 111.89 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.5 p -170.04 -43.86 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 -173.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -135.92 144.61 45.59 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.586 1.554 . . . . 0.0 110.728 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -136.09 -1.32 2.41 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.598 1.159 . . . . 0.0 113.863 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -81.12 149.97 28.93 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.805 1.242 . . . . 0.0 113.099 -178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -144.68 14.82 1.57 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.178 1.791 . . . . 0.0 113.258 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -150.41 171.51 16.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.63 2.372 . . . . 0.0 109.623 -177.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.32 147.56 36.12 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.717 1.151 . . . . 0.0 114.523 -174.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.43 119.32 6.56 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.53 1.86 90.29 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 124.567 1.08 . . . . 0.0 114.772 -176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 72.4 p -136.17 0.62 2.61 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.724 1.262 . . . . 0.0 114.245 -174.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -70.31 161.09 31.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.972 1.309 . . . . 0.0 113.362 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -151.4 164.39 36.82 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.352 1.461 . . . . 0.0 113.413 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -84.03 -177.36 6.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.381 1.472 . . . . 0.0 112.282 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.6 tp -148.89 93.57 2.13 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.161 1.784 . . . . 0.0 108.313 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -66.7 -22.45 66.07 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.993 1.317 . . . . 0.0 114.446 -172.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.9 m -140.45 128.29 21.86 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.785 1.234 . . . . 0.0 111.143 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.9 p -168.19 165.85 13.01 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 111.224 -175.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -161.3 138.08 8.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.026 1.33 . . . . 0.0 111.102 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -147.66 141.17 25.43 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.205 1.402 . . . . 0.0 111.934 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -105.03 -6.65 19.81 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.001 1.321 . . . . 0.0 113.322 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.9 m -77.45 -4.98 48.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.6 t -164.69 175.63 9.57 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.291 1.836 . . . . 0.0 110.957 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -72.89 136.15 45.22 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.813 1.245 . . . . 0.0 111.951 177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.53 127.02 4.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.155 1.382 . . . . 0.0 110.069 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -169.51 146.68 3.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.218 1.807 . . . . 0.0 109.822 -174.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 74.2 m -141.19 165.75 26.67 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.757 1.623 . . . . 0.0 111.645 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -150.15 143.99 25.4 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.272 1.429 . . . . 0.0 111.56 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -132.89 121.73 23.31 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.467 1.107 . . . . 0.0 110.976 -172.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -165.94 149.8 7.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 127.141 2.176 . . . . 0.0 108.652 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -65.34 137.02 57.25 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.144 0.978 . . . . 0.0 112.57 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -96.2 163.33 23.07 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.074 1.321 . . . . 0.0 111.562 169.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.06 11.35 0.18 Allowed 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.213 1.56 . . . . 0.0 115.213 -173.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.9 ptmt -158.21 163.05 37.85 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -169.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 9.8 p -72.03 146.31 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.231 1.412 . . . . 0.0 111.148 172.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 29.1 t -137.73 130.08 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.327 1.451 . . . . 0.0 108.946 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -81.16 95.68 6.98 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.402 1.081 . . . . 0.0 110.558 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 98.4 p -164.72 -149.63 0.13 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.025 1.33 . . . . 0.0 111.07 -168.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.89 -17.37 2.42 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.812 1.645 . . . . 0.0 114.524 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -33.36 54.86 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.257 1.423 . . . . 0.0 112.063 168.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -70.5 -32.58 70.13 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.153 0.981 . . . . 0.0 112.398 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -85.54 -8.19 58.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.015 1.326 . . . . 0.0 113.489 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -105.18 -29.79 10.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.422 1.889 . . . . 0.0 112.807 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.68 149.46 35.2 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.638 -0.664 . . . . 0.0 112.045 173.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.1 t70 77.2 -1.4 2.78 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.231 2.612 . . . . 0.0 114.78 178.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -75.55 -5.41 45.14 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.55 1.14 . . . . 0.0 113.659 175.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.66 172.98 5.58 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 129.147 2.979 . . . . 0.0 108.548 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -127.42 -7.33 5.8 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -119.35 -60.04 1.77 Allowed 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.146 -0.971 . . . . 0.0 112.765 -170.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -72.96 -7.12 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 123.927 0.891 . . . . 0.0 112.17 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -90.75 -18.79 24.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.189 173.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -61.51 -21.59 64.36 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 -167.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.33 -24.86 20.73 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 172.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.3 mt -70.9 -20.68 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 C-N-CA 124.965 1.306 . . . . 0.0 111.489 -170.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.5 p -77.53 -9.93 59.2 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.287 1.435 . . . . 0.0 113.894 170.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -106.76 -56.47 2.19 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.989 1.716 . . . . 0.0 109.894 174.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.16 -6.93 0.13 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 128.512 2.725 . . . . 0.0 117.908 169.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -83.23 6.54 19.16 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.641 1.976 . . . . 0.0 112.076 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -64.47 129.98 41.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.073 1.749 . . . . 0.0 111.0 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.0 m -67.97 -18.32 64.7 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 -167.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -156.48 -8.62 0.1 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -173.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.12 -27.97 69.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.822 0.849 . . . . 0.0 113.168 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -57.93 -31.36 66.74 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -70.99 -45.68 63.59 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.684 0.675 . . . . 0.0 111.095 171.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 33.5 m -65.15 -37.63 88.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.511 0.724 . . . . 0.0 111.451 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.3 tt -75.3 -32.68 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.714 0.806 . . . . 0.0 112.467 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 78.3 p -69.73 -19.77 63.54 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.745 -1.222 . . . . 0.0 113.083 177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -70.2 -18.32 63.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.211 0.605 . . . . 0.0 112.442 170.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -100.7 -41.96 6.7 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.715 1.206 . . . . 0.0 111.845 177.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.7 -16.39 63.33 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -168.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.8 -35.16 5.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.509 1.923 . . . . 0.0 113.346 172.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.9 mt -111.7 -11.71 13.96 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.696 1.598 . . . . 0.0 114.306 -178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 62.4 mt -87.51 -57.3 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.103 1.361 . . . . 0.0 110.543 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.6 t -157.12 126.93 6.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -178.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -70.78 -13.65 62.13 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.64 0.776 . . . . 0.0 113.013 173.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.5 -39.27 81.33 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 119.665 1.12 . . . . 0.0 111.553 173.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.18 -46.73 66.78 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.718 0.69 . . . . 0.0 110.964 -175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.76 -38.46 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.742 -0.599 . . . . 0.0 111.258 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -69.18 -27.32 65.41 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.811 0.732 . . . . 0.0 112.807 177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.44 91.11 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.073 0.851 . . . . 0.0 112.35 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -90.51 -41.32 11.47 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.072 0.949 . . . . 0.0 112.798 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -75.33 -27.9 59.41 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.044 1.338 . . . . 0.0 111.661 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 60.39 40.25 17.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.838 2.055 . . . . 0.0 111.295 175.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -96.4 115.41 27.38 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.242 1.817 . . . . 0.0 110.807 -173.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -141.3 5.42 1.86 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -169.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 81.99 48.62 5.68 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.189 1.376 . . . . 0.0 111.782 -176.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.365 1.866 . . . . 0.0 112.713 -169.537 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -163.25 164.18 25.09 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.964 1.706 . . . . 0.0 110.891 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.8 t -160.47 165.16 31.49 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.752 1.221 . . . . 0.0 111.727 -178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -147.61 158.66 44.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.891 2.076 . . . . 0.0 110.569 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -154.0 158.39 40.52 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.307 1.443 . . . . 0.0 112.584 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -163.01 157.58 21.07 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.461 1.904 . . . . 0.0 110.926 -177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -152.23 -1.3 0.29 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.602 1.561 . . . . 0.0 114.23 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -164.72 108.03 0.89 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.802 1.183 . . . . 0.0 110.679 -177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.3 p -156.63 12.08 0.26 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -172.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -159.03 142.19 14.6 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.929 1.692 . . . . 0.0 111.224 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -162.76 171.05 17.36 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.141 1.776 . . . . 0.0 111.0 -176.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 80.9 p -145.64 155.46 43.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.001 1.321 . . . . 0.0 112.942 -175.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.77 150.12 38.1 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.184 1.393 . . . . 0.0 111.375 -169.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -145.96 157.29 43.89 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.27 1.428 . . . . 0.0 111.694 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -158.69 147.36 18.59 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.43 1.492 . . . . 0.0 111.428 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -159.92 129.9 5.43 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.59 1.556 . . . . 0.0 109.863 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.7 p -82.54 -19.13 39.2 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -169.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -85.77 2.31 46.1 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.265 1.026 . . . . 0.0 113.556 178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -75.24 3.64 8.46 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.094 1.358 . . . . 0.0 114.436 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -153.13 138.93 17.96 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.098 1.759 . . . . 0.0 109.93 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.4 t -162.72 -178.61 6.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.276 1.43 . . . . 0.0 111.396 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -158.12 151.09 22.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.356 1.862 . . . . 0.0 110.097 -177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -150.44 155.38 39.45 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.673 1.189 . . . . 0.0 113.01 -173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -160.74 170.67 20.29 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.421 1.888 . . . . 0.0 110.657 -176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -131.66 124.21 53.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 126.235 1.814 . . . . 0.0 109.043 -177.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -87.64 -5.18 58.84 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.309 1.443 . . . . 0.0 114.195 -174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.0 m -68.22 150.51 48.21 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.006 1.322 . . . . 0.0 113.169 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -153.38 139.59 18.43 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.577 1.551 . . . . 0.0 110.826 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -162.52 159.25 24.63 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.619 1.567 . . . . 0.0 111.546 -172.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.1 p -144.73 4.14 1.13 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.323 1.849 . . . . 0.0 113.61 -178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.01 155.66 40.27 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.678 1.191 . . . . 0.0 112.808 175.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 152.61 40.29 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.161 1.384 . . . . 0.0 111.877 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -146.12 154.67 50.57 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.193 1.797 . . . . 0.0 111.638 -175.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.58 -12.34 24.63 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.606 2.871 . . . . 0.0 113.916 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -140.91 140.41 34.5 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.98 1.312 . . . . 0.0 111.657 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.26 138.88 16.31 Favored Glycine 0 CA--C 1.54 1.611 0 CA-C-O 118.221 -1.321 . . . . 0.0 111.831 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -61.07 -30.87 90.21 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.8 3.0 . . . . 0.0 114.203 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.9 t70 68.76 5.57 5.02 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.891 2.077 . . . . 0.0 115.005 170.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 13.6 m0 -60.09 133.94 56.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.081 1.352 . . . . 0.0 113.2 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -69.47 145.07 53.03 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.507 1.123 . . . . 0.0 111.583 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -139.96 140.32 36.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.262 1.425 . . . . 0.0 111.445 -173.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -145.0 163.33 34.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 126.174 1.79 . . . . 0.0 111.857 -176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.5 t -80.11 -179.75 7.2 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.03 0.932 . . . . 0.0 112.518 174.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -158.09 148.23 20.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.088 1.755 . . . . 0.0 110.064 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.43 51.52 1.46 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.704 1.602 . . . . 0.0 112.927 -172.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 53.7 mmm-85 -78.98 81.07 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.347 1.459 . . . . 0.0 110.842 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.8 mttt 54.86 -144.66 0.67 Allowed 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.003 1.721 . . . . 0.0 111.54 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 66.99 -165.81 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.232 1.813 . . . . 0.0 111.959 171.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -120.27 12.11 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 121.126 -0.984 . . . . 0.0 112.055 176.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -81.88 5.07 72.09 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.013 1.292 . . . . 0.0 114.633 176.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -71.85 176.45 39.81 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.915 1.245 . . . . 0.0 114.176 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 91.9 p -160.49 -178.99 7.28 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.212 1.405 . . . . 0.0 112.288 -171.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -151.43 147.12 26.49 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.876 1.27 . . . . 0.0 111.979 -176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.24 139.86 30.13 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.811 1.244 . . . . 0.0 111.667 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -129.01 149.63 50.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.779 1.632 . . . . 0.0 111.159 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.3 tp -77.99 -13.55 59.84 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.624 1.17 . . . . 0.0 112.838 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -67.27 160.07 27.85 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.37 1.468 . . . . 0.0 113.153 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.9 m -58.1 152.82 15.96 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.635 1.174 . . . . 0.0 112.727 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.5 m 70.23 12.53 7.64 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.549 1.54 . . . . 0.0 114.287 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -70.44 -34.8 72.87 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.914 -1.116 . . . . 0.0 111.562 168.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 63.39 -170.75 0.18 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.932 2.093 . . . . 0.0 113.125 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -79.26 166.22 22.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.384 1.473 . . . . 0.0 113.481 -174.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.5 m -137.09 171.89 13.83 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.37 1.868 . . . . 0.0 110.804 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 11.7 t -145.85 149.47 34.36 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 120.796 -1.19 . . . . 0.0 112.24 -176.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -164.3 163.11 22.68 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.407 2.283 . . . . 0.0 110.085 -175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -68.03 117.82 10.4 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.434 1.094 . . . . 0.0 111.211 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -161.48 126.32 3.5 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.428 1.491 . . . . 0.0 110.038 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.0 m -81.55 33.88 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 125.304 1.442 . . . . 0.0 113.922 -171.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -69.69 -19.18 63.58 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.054 1.341 . . . . 0.0 113.727 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -147.02 161.34 41.02 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.145 2.178 . . . . 0.0 110.273 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.54 133.0 49.3 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.115 1.366 . . . . 0.0 111.307 -175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -75.45 131.74 40.35 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.144 1.377 . . . . 0.0 112.142 173.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.22 166.7 36.92 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 124.4 1.0 . . . . 0.0 111.486 169.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -145.17 3.34 1.03 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 124.429 1.091 . . . . 0.0 113.885 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 59.0 mtmt -147.89 147.68 30.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.735 1.614 . . . . 0.0 111.941 -172.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.8 m -149.88 148.22 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 127.322 2.249 . . . . 0.0 108.844 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 40.6 t -133.36 -51.69 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.261 1.025 . . . . 0.0 111.294 -170.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -145.83 106.87 4.15 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.401 1.48 . . . . 0.0 109.374 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 p -166.32 176.9 7.16 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -169.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.19 -20.34 3.89 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 126.224 1.81 . . . . 0.0 114.872 173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -56.55 -29.57 62.12 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 120.965 -1.084 . . . . 0.0 112.099 170.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.46 -11.84 60.34 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -125.96 -16.78 5.52 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.51 -17.99 58.97 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.746 1.618 . . . . 0.0 113.072 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 73.9 mt -74.03 66.13 1.17 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.425 1.49 . . . . 0.0 112.764 179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -164.86 -25.13 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.106 1.762 . . . . 0.0 114.297 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -82.27 -5.45 58.55 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.515 1.672 . . . . 0.0 115.515 -168.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.51 174.87 6.55 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 127.077 2.151 . . . . 0.0 110.077 -173.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.419 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 26.3 tt0 -131.64 -6.7 3.66 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.081 1.352 . . . . 0.0 112.973 -177.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.96 -61.34 1.73 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.368 1.467 . . . . 0.0 113.283 -169.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.2 p -81.83 0.43 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 125.712 1.605 . . . . 0.0 111.801 173.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -94.23 -16.27 23.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.686 1.995 . . . . 0.0 112.82 172.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -61.56 -29.53 70.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -166.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.1 ptmt -86.12 -23.74 26.51 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 114.865 1.431 . . . . 0.0 114.865 172.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.74 -25.23 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 124.732 1.213 . . . . 0.0 110.487 -173.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.6 m -65.71 -9.76 30.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.081 1.752 . . . . 0.0 115.104 176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -138.17 -47.95 0.53 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.717 1.207 . . . . 0.0 111.039 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.23 -11.84 0.07 Allowed 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 119.839 3.274 . . . . 0.0 119.839 168.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -100.42 -5.79 26.64 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.348 1.859 . . . . 0.0 112.438 171.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -100.51 33.98 2.55 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.924 1.69 . . . . 0.0 110.995 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.2 t -159.17 145.91 16.91 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.362 1.465 . . . . 0.0 111.772 -169.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -116.6 9.91 14.29 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 126.406 1.882 . . . . 0.0 110.83 170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -90.34 7.24 39.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.878 2.071 . . . . 0.0 113.391 -169.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -60.81 -27.83 68.33 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 64.1 tp -73.75 -46.11 47.79 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.397 0.999 . . . . 0.0 110.782 169.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 20.6 m -62.74 -42.56 99.73 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.256 1.422 . . . . 0.0 112.11 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.7 tt -68.41 -32.96 57.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.329 0.652 . . . . 0.0 111.777 178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 51.7 m -70.14 -18.18 63.21 Favored 'General case' 0 N--CA 1.47 0.558 0 O-C-N 121.247 -0.908 . . . . 0.0 112.919 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -72.5 -18.98 61.61 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.789 -0.569 . . . . 0.0 112.275 170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -95.41 -41.06 9.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.909 1.283 . . . . 0.0 110.806 173.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -69.28 -15.28 63.32 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -50.16 -35.77 27.52 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.324 1.45 . . . . 0.0 111.335 166.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 88.7 mt -106.14 -35.61 7.16 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.442 1.897 . . . . 0.0 112.797 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.67 -60.75 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 CA-C-N 119.303 0.956 . . . . 0.0 111.1 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.4 t -160.67 117.53 2.37 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -22.03 66.6 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.507 -0.746 . . . . 0.0 112.328 172.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.5 mt -59.27 -31.34 69.02 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.17 0.988 . . . . 0.0 112.644 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.41 -36.78 79.6 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.498 0.719 . . . . 0.0 111.569 176.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -63.54 -38.11 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 121.492 -0.755 . . . . 0.0 110.275 172.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.34 -32.62 71.82 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 173.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.88 -41.59 86.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.938 0.895 . . . . 0.0 112.402 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -77.95 -23.65 48.44 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.534 0.939 . . . . 0.0 113.534 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -91.24 -30.94 16.35 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.423 0.689 . . . . 0.0 112.279 -177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 59.28 36.24 23.56 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.029 1.731 . . . . 0.0 112.175 176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -83.63 76.67 9.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 -170.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -106.27 -8.08 17.47 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.974 1.31 . . . . 0.0 114.378 -172.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.58 15.59 70.59 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.155 1.359 . . . . 0.0 114.672 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.325 1.85 . . . . 0.0 112.507 -174.124 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.4 p . . . . . 0 N--CA 1.482 1.162 0 CA-C-O 120.571 0.224 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -143.87 141.33 30.25 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.86 1.664 . . . . 0.0 109.847 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -161.24 -8.42 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -85.36 140.05 31.09 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.937 1.695 . . . . 0.0 112.117 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.9 mt -96.09 69.25 2.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.932 1.293 . . . . 0.0 110.149 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.7 t0 69.72 -177.31 0.21 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.084 2.154 . . . . 0.0 112.683 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -145.59 136.1 24.17 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.776 1.631 . . . . 0.0 110.035 -177.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -72.85 127.16 31.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.874 0.869 . . . . 0.0 110.543 173.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.1 m -173.14 160.18 4.05 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 127.974 2.51 . . . . 0.0 110.024 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.37 150.74 21.93 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.962 1.305 . . . . 0.0 112.518 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -150.93 12.77 0.69 Allowed 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.443 1.497 . . . . 0.0 112.652 -178.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.0 m -168.15 159.78 11.24 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.724 2.409 . . . . 0.0 110.422 -175.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -158.86 172.08 18.89 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.524 1.53 . . . . 0.0 111.73 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -152.42 143.13 22.86 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.008 1.323 . . . . 0.0 111.047 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -162.78 -24.16 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.159 1.384 . . . . 0.0 114.533 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -163.92 144.77 8.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.978 1.711 . . . . 0.0 109.744 -176.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.0 t -161.69 176.71 10.66 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.434 1.494 . . . . 0.0 111.389 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -160.43 149.01 16.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.226 1.81 . . . . 0.0 110.31 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.2 m -165.01 140.85 5.51 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.821 1.648 . . . . 0.0 112.024 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -81.15 144.02 31.96 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.237 1.015 . . . . 0.0 112.007 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.6 m -75.06 155.04 37.63 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.614 1.166 . . . . 0.0 113.415 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -142.03 150.68 41.61 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.039 1.736 . . . . 0.0 110.229 177.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.85 35.48 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.079 1.352 . . . . 0.0 112.277 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -87.51 14.91 7.32 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.841 1.656 . . . . 0.0 113.64 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 25.6 m -63.5 143.07 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.376 1.471 . . . . 0.0 112.145 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . 0.282 1.6 p30 62.21 2.55 0.85 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 128.347 2.659 . . . . 0.0 116.409 178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.7 m -65.62 154.17 39.53 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.507 1.123 . . . . 0.0 112.914 171.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.7 -179.13 7.0 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.175 1.39 . . . . 0.0 113.464 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -59.94 147.92 37.03 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.943 1.697 . . . . 0.0 114.119 -173.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 73.2 m -140.33 155.83 46.66 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.84 1.656 . . . . 0.0 111.63 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.38 117.09 8.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.313 1.045 . . . . 0.0 113.118 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -169.17 160.56 9.78 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.513 2.325 . . . . 0.0 110.447 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.7 125.89 6.51 Favored Pre-proline 0 CA--C 1.554 1.102 0 C-N-CA 124.588 1.155 . . . . 0.0 112.511 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -85.92 -21.35 2.67 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 123.314 2.676 . . . . 0.0 112.968 176.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -150.45 176.43 10.94 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.359 1.864 . . . . 0.0 111.609 -173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 104.45 -148.58 16.78 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.766 1.651 . . . . 0.0 112.125 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -71.75 155.91 57.82 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 124.132 3.221 . . . . 0.0 111.489 -177.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -162.22 -38.54 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.72 1.208 . . . . 0.0 112.989 -179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -153.65 155.33 35.84 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.595 1.958 . . . . 0.0 112.966 -176.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.95 160.67 14.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.281 1.832 . . . . 0.0 111.309 -177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -141.21 134.75 29.94 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.441 1.497 . . . . 0.0 110.687 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -80.62 -7.17 59.18 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 -174.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.8 m -60.34 146.99 42.14 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.342 1.457 . . . . 0.0 113.391 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -82.42 164.48 20.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.141 0.976 . . . . 0.0 111.986 171.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 15.0 t80 66.47 16.67 10.48 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.918 1.687 . . . . 0.0 114.029 174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -58.24 136.21 57.27 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.003 1.321 . . . . 0.0 112.25 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.9 167.66 21.02 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.746 1.218 . . . . 0.0 112.158 173.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -151.05 125.27 9.36 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.655 1.182 . . . . 0.0 109.871 -178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.72 18.38 55.09 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 125.352 1.453 . . . . 0.0 114.712 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.33 155.39 53.04 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.823 1.201 . . . . 0.0 113.973 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.08 -169.84 46.36 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 125.117 1.342 . . . . 0.0 114.012 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 67.3 m -146.5 161.97 39.32 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.587 1.555 . . . . 0.0 111.58 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -153.42 143.61 22.27 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.986 1.314 . . . . 0.0 111.433 -178.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -143.17 163.22 33.5 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.817 1.647 . . . . 0.0 112.264 -174.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -153.33 140.72 19.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.592 1.557 . . . . 0.0 110.614 178.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.5 tp -78.4 -39.55 38.63 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -169.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -87.58 99.33 11.97 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 121.567 0.699 . . . . 0.0 111.771 -174.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.6 p -89.41 -15.5 33.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.627 1.171 . . . . 0.0 113.8 176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 m 66.12 179.73 0.2 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.864 2.066 . . . . 0.0 113.772 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -158.84 157.24 31.16 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.948 1.299 . . . . 0.0 112.842 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -84.89 158.14 20.67 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.884 1.274 . . . . 0.0 111.626 169.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -161.57 136.38 7.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.9 1.68 . . . . 0.0 110.857 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.2 p -166.48 168.01 15.15 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.216 1.406 . . . . 0.0 112.217 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.2 m -165.37 147.86 7.83 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 126.694 1.997 . . . . 0.0 110.181 175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -158.5 125.06 4.72 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.675 1.19 . . . . 0.0 110.546 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -104.4 1.58 30.28 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.738 1.615 . . . . 0.0 113.669 -169.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -147.53 170.13 18.1 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.242 1.017 . . . . 0.0 113.115 -171.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.0 m -141.32 168.44 19.77 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.92 1.288 . . . . 0.0 112.53 -171.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -152.04 156.95 40.96 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.022 2.129 . . . . 0.0 109.099 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -148.08 153.97 39.6 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -167.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' HG3' HE22 ' A' ' 158' ' ' GLN . 37.4 mt-10 -146.74 148.35 31.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 129.163 2.985 . . . . 0.0 106.858 169.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.47 -12.98 61.32 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -174.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 176.45 139.32 3.15 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 125.046 1.308 . . . . 0.0 113.544 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -161.44 117.11 2.1 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.069 1.748 . . . . 0.0 108.989 175.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 81.9 mttt -71.0 132.94 45.91 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.075 0.95 . . . . 0.0 111.698 -171.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.1 m -151.77 140.62 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.803 0.841 . . . . 0.0 113.111 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 61.4 t -139.7 -62.05 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.74 1.616 . . . . 0.0 109.677 174.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -74.86 92.78 2.56 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.442 1.097 . . . . 0.0 109.682 171.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -169.72 177.72 4.37 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.505 1.522 . . . . 0.0 111.153 -169.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.33 -13.55 5.51 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.387 1.075 . . . . 0.0 113.341 171.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -51.55 -35.93 43.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.831 2.053 . . . . 0.0 111.999 169.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.2 -24.91 67.49 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.896 1.278 . . . . 0.0 112.832 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -99.42 8.51 44.53 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.319 1.448 . . . . 0.0 113.097 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -124.58 -32.16 3.15 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.42 1.888 . . . . 0.0 112.262 -169.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.89 151.34 14.78 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.703 0.801 . . . . 0.0 112.387 172.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . 0.309 1.2 p30 67.26 1.14 2.32 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.832 2.853 . . . . 0.0 116.692 177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -75.03 1.54 12.77 Favored 'General case' 0 CA--C 1.552 1.044 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 170.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.88 169.3 15.02 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 129.343 3.057 . . . . 0.0 108.973 -176.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -143.17 23.83 1.83 Allowed 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -131.08 -77.33 0.52 Allowed 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.441 1.096 . . . . 0.0 110.71 174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.14 -21.82 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 126.819 2.048 . . . . 0.0 112.996 177.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -76.61 -20.23 56.97 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.707 1.203 . . . . 0.0 113.74 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -63.89 -22.61 67.0 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.646 1.351 . . . . 0.0 114.646 -168.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 -29.15 33.05 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 171.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.4 -28.02 38.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.834 1.654 . . . . 0.0 110.053 -172.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.1 m -61.68 -1.67 0.64 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.321 1.848 . . . . 0.0 114.741 172.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -124.64 -77.73 0.59 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.516 1.526 . . . . 0.0 109.103 169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 58.14 28.19 16.09 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 125.391 1.476 . . . . 0.0 114.699 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.69 8.05 11.15 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.462 1.905 . . . . 0.0 112.419 172.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -165.46 66.29 0.12 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.212 1.805 . . . . 0.0 109.294 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.1 m -144.28 113.44 6.89 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.483 0.713 . . . . 0.0 112.695 -168.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -88.21 -7.71 56.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.583 1.153 . . . . 0.0 112.256 169.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.34 -15.78 60.98 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.709 2.404 . . . . 0.0 113.747 176.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -55.26 -31.86 61.9 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -178.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.8 tp -64.82 -57.96 7.48 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.078 0.854 . . . . 0.0 110.824 170.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.5 m -58.35 -42.46 86.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.693 1.597 . . . . 0.0 112.035 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -32.86 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 123.312 0.645 . . . . 0.0 112.11 -178.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.7 p -68.48 -20.49 64.61 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 120.957 -1.09 . . . . 0.0 113.017 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -76.45 -13.29 60.12 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.834 0.853 . . . . 0.0 112.435 172.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -102.72 -41.73 6.12 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.977 1.311 . . . . 0.0 111.875 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.2 -13.93 62.4 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -48.43 -32.79 8.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.3 1.84 . . . . 0.0 113.012 168.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 78.8 mt -115.19 -13.26 11.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.465 1.506 . . . . 0.0 114.003 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.3 mt -85.8 -60.78 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 124.579 1.151 . . . . 0.0 110.272 174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 29.2 t -164.89 125.71 2.02 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -69.01 -13.09 62.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 170.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.25 -38.56 91.64 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 120.831 1.65 . . . . 0.0 111.657 171.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.64 -45.04 76.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.388 0.675 . . . . 0.0 110.992 175.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 47.0 t -55.13 -44.91 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.671 0.788 . . . . 0.0 110.385 174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -64.88 -34.72 79.07 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 175.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -69.31 -35.48 76.02 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.9 0.88 . . . . 0.0 112.813 -176.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -84.07 -30.87 25.69 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . 0.402 HE22 ' HG3' ' A' ' 106' ' ' GLU . 20.4 mm100 -85.1 -37.21 20.54 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.075 0.852 . . . . 0.0 112.282 -178.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 55.67 66.32 1.24 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.311 1.844 . . . . 0.0 112.311 178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 55.2 t30 -61.78 -15.33 40.45 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 15.5 p90 -83.22 -22.49 33.12 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.748 2.019 . . . . 0.0 113.453 173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -102.35 -110.46 3.4 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 127.108 2.29 . . . . 0.0 111.092 176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.251 1.15 0 C-N-CA 126.454 1.902 . . . . 0.0 111.817 -176.004 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 111.373 0.138 . . . . 0.0 111.373 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -161.72 158.71 26.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.813 1.645 . . . . 0.0 111.011 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.7 p -165.21 176.34 8.52 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.444 1.498 . . . . 0.0 111.956 -174.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.44 152.52 42.84 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.007 1.723 . . . . 0.0 111.854 -173.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.38 172.14 9.94 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 111.099 -175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t0 75.74 149.03 0.1 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.054 2.542 . . . . 0.0 114.568 174.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 65.26 -61.56 0.23 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 129.178 2.991 . . . . 0.0 114.385 173.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -140.22 -16.91 0.93 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.287 1.835 . . . . 0.0 112.977 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.9 m -80.92 0.99 32.9 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.664 -1.272 . . . . 0.0 113.569 -177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -80.46 -8.61 59.61 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.512 1.525 . . . . 0.0 113.123 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -141.32 11.1 2.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.342 1.457 . . . . 0.0 113.287 -172.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 78.8 p -87.01 -0.33 56.45 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -78.33 138.06 38.37 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.359 1.064 . . . . 0.0 112.294 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -148.86 154.43 39.47 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.157 1.783 . . . . 0.0 110.915 177.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -67.63 142.65 56.35 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.802 0.841 . . . . 0.0 111.803 173.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -145.55 156.16 43.52 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.565 1.546 . . . . 0.0 111.377 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.4 t -162.04 174.64 12.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.973 1.709 . . . . 0.0 110.83 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -138.24 95.12 2.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.445 1.498 . . . . 0.0 109.937 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.9 t -168.65 160.28 10.62 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.899 1.68 . . . . 0.0 111.09 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -161.79 125.61 3.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.257 1.823 . . . . 0.0 109.162 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 96.0 p -168.34 178.95 4.66 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.961 1.304 . . . . 0.0 112.342 -170.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.47 156.36 36.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.023 1.729 . . . . 0.0 110.252 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.43 171.17 20.64 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.001 1.32 . . . . 0.0 112.318 -172.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -155.95 166.92 32.05 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.326 1.851 . . . . 0.0 110.748 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.8 t -139.26 138.25 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.439 1.896 . . . . 0.0 109.418 -173.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -144.34 135.62 25.47 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.416 1.487 . . . . 0.0 110.941 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.8 t -168.62 -166.23 0.65 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.066 1.746 . . . . 0.0 110.639 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -146.09 146.51 30.93 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.368 1.867 . . . . 0.0 111.8 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -104.42 152.58 22.13 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.526 1.53 . . . . 0.0 113.462 -172.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.26 175.43 9.24 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.255 1.822 . . . . 0.0 110.661 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -156.6 138.29 14.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.895 1.678 . . . . 0.0 111.157 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.12 30.48 0.3 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.382 1.073 . . . . 0.0 113.577 -169.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -57.21 132.39 80.83 Favored Pre-proline 0 CA--C 1.553 1.095 0 O-C-N 120.94 -1.1 . . . . 0.0 112.228 -178.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -78.71 -17.07 12.69 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.313 2.675 . . . . 0.0 114.128 -174.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -145.34 148.8 33.79 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.785 1.234 . . . . 0.0 112.531 -176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.11 -177.65 48.91 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 125.098 1.333 . . . . 0.0 113.094 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.65 155.59 49.52 Favored 'Trans proline' 0 CA--C 1.537 0.627 0 C-N-CA 123.83 3.02 . . . . 0.0 111.778 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -132.11 -18.76 2.59 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.102 1.361 . . . . 0.0 113.514 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 71.07 -24.71 0.17 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 128.356 2.662 . . . . 0.0 115.592 171.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.9 t80 67.43 161.88 0.18 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 128.311 2.644 . . . . 0.0 115.012 172.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -158.99 142.88 15.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.238 1.815 . . . . 0.0 111.609 172.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -77.79 160.76 28.15 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.131 0.973 . . . . 0.0 113.504 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.8 m -72.93 143.82 47.54 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.264 0.625 . . . . 0.0 109.465 167.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -158.36 134.86 9.5 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.375 -0.828 . . . . 0.0 111.242 -172.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -149.99 150.79 32.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.144 1.778 . . . . 0.0 110.462 -173.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -165.17 172.21 12.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.614 1.166 . . . . 0.0 112.141 -175.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -65.69 92.8 0.15 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.578 1.151 . . . . 0.0 112.718 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -165.15 145.66 7.2 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.651 1.98 . . . . 0.0 108.643 -173.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.26 114.11 6.51 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 82.39 -5.64 72.17 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.118 1.342 . . . . 0.0 114.544 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.69 -3.09 52.85 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.664 1.602 . . . . 0.0 114.436 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.6 p -84.19 -4.98 59.17 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 46.8 t30 76.14 134.45 0.06 Allowed 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 128.493 2.717 . . . . 0.0 113.226 -177.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -170.41 171.53 6.52 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 127.31 2.244 . . . . 0.0 111.838 -178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -126.46 164.37 21.28 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.205 1.402 . . . . 0.0 112.439 -170.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.7 tp -166.33 104.16 0.63 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.837 2.055 . . . . 0.0 108.081 -175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.4 mtmt -53.34 135.29 39.15 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.01 1.324 . . . . 0.0 112.733 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -166.97 -171.89 1.91 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.273 1.829 . . . . 0.0 110.293 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -59.81 127.23 30.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.951 1.3 . . . . 0.0 112.591 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -159.22 130.57 6.2 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.316 1.446 . . . . 0.0 110.321 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 65.9 t80 67.71 -53.79 0.5 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.165 2.586 . . . . 0.0 113.812 -173.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -165.99 145.82 6.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.121 2.168 . . . . 0.0 110.93 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.6 p -150.43 11.3 0.69 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.942 1.697 . . . . 0.0 112.851 176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.1 m -88.47 141.49 28.49 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.681 -1.262 . . . . 0.0 112.987 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -159.38 128.7 5.37 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.601 1.561 . . . . 0.0 110.725 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -166.6 153.62 9.22 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.083 1.753 . . . . 0.0 110.137 -176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -140.36 -10.97 1.08 Allowed 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.946 1.698 . . . . 0.0 113.004 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.7 m -128.46 148.24 50.72 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 120.643 -1.285 . . . . 0.0 112.747 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -90.36 146.34 24.25 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.959 1.304 . . . . 0.0 111.351 174.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -72.45 121.8 20.19 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 122.58 1.181 . . . . 0.0 113.565 -169.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -101.29 1.15 38.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.324 1.85 . . . . 0.0 114.014 -169.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -152.88 168.7 24.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.718 1.607 . . . . 0.0 111.28 -169.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.67 -148.24 17.79 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 125.749 1.642 . . . . 0.0 112.758 176.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -103.41 124.98 49.72 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.177 1.391 . . . . 0.0 110.294 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -158.51 -157.57 0.63 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 126.105 1.762 . . . . 0.0 110.124 -169.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.4 t 76.89 140.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.439 1.896 . . . . 0.0 112.367 177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 35.3 m -147.54 -173.11 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 126.046 1.739 . . . . 0.0 110.607 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -67.3 101.51 0.94 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.562 1.145 . . . . 0.0 109.268 168.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.1 p -157.29 -149.09 0.22 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.544 1.538 . . . . 0.0 111.09 -168.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.52 -19.05 5.07 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.966 -1.084 . . . . 0.0 113.082 168.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.8 tmtm? -55.49 -19.87 11.03 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 125.251 1.42 . . . . 0.0 113.322 169.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -90.71 -11.65 39.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.861 1.265 . . . . 0.0 113.659 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -137.2 -10.07 1.72 Allowed 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.905 1.817 . . . . 0.0 115.905 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.13 -13.43 60.82 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.09 1.756 . . . . 0.0 111.994 172.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 83.3 mt -72.12 43.93 0.11 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.245 2.618 . . . . 0.0 114.694 -176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -155.13 -12.42 0.12 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -80.67 -6.59 58.6 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.59 169.12 5.15 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.615 2.366 . . . . 0.0 110.133 -170.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -125.67 -4.64 7.08 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.545 1.138 . . . . 0.0 113.353 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -112.42 -62.17 1.61 Allowed 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.986 -1.071 . . . . 0.0 112.744 -171.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -72.32 -15.95 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.175 0.99 . . . . 0.0 112.246 174.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -15.44 58.61 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -19.43 63.48 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 -168.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -88.29 -24.62 23.14 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 168.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 36.9 mt -72.51 -30.05 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 C-N-CA 125.168 1.387 . . . . 0.0 110.155 -169.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.8 p -66.4 -9.73 36.65 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.347 1.459 . . . . 0.0 113.712 171.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -115.87 -67.07 1.02 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.997 1.719 . . . . 0.0 109.061 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 57.01 27.08 12.71 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.12 2.168 . . . . 0.0 114.91 171.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.96 -8.39 59.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.03 0.932 . . . . 0.0 111.377 169.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -70.15 153.11 43.52 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.116 1.766 . . . . 0.0 112.631 177.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.0 p -144.53 37.05 1.2 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.015 1.326 . . . . 0.0 112.763 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -150.88 -31.73 0.17 Allowed 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.55 -9.23 53.04 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.206 1.402 . . . . 0.0 112.654 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -61.74 -27.8 68.98 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.7 tp -67.77 -51.45 48.83 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.544 0.611 . . . . 0.0 110.395 168.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 26.0 m -63.11 -41.54 99.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.25 1.42 . . . . 0.0 112.35 -175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -67.09 -35.78 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 CA-C-N 118.71 0.686 . . . . 0.0 111.604 177.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 32.2 m -73.26 -16.05 61.4 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.073 -1.017 . . . . 0.0 112.876 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -71.12 -21.26 62.23 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.785 -0.572 . . . . 0.0 112.035 169.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -95.53 -41.67 8.83 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.583 1.153 . . . . 0.0 111.139 174.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.89 -14.94 63.34 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -170.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -50.87 -29.84 12.95 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.505 . . . . 0.0 113.388 169.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 82.9 mt -116.83 -12.83 10.74 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.094 1.358 . . . . 0.0 114.328 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.2 mt -84.3 -59.45 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.349 1.06 . . . . 0.0 110.375 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.1 t -161.74 125.36 3.19 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -65.58 -23.48 66.85 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 118.741 -0.647 . . . . 0.0 112.498 169.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.12 -30.28 70.92 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 120.03 1.286 . . . . 0.0 112.605 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.18 -37.68 86.2 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.767 -0.583 . . . . 0.0 111.312 173.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 12.5 t -63.18 -40.81 90.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 O-C-N 121.25 -0.907 . . . . 0.0 110.072 173.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.31 -32.42 74.06 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.25 87.85 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.221 1.008 . . . . 0.0 112.082 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -88.16 -29.37 20.58 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -112.2 -18.05 12.64 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.9 1.28 . . . . 0.0 114.176 -166.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 67.69 28.43 7.3 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.728 1.611 . . . . 0.0 112.831 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -75.0 126.98 32.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.452 -0.78 . . . . 0.0 110.635 170.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -138.81 8.49 2.56 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.008 1.323 . . . . 0.0 113.91 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 91.06 13.47 58.91 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.72 1.629 . . . . 0.0 114.087 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.571 1.948 . . . . 0.0 113.574 178.832 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 111.269 0.1 . . . . 0.0 111.269 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.57 153.13 18.9 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.462 1.505 . . . . 0.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.6 t -167.23 176.79 6.52 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.966 1.706 . . . . 0.0 110.749 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -154.64 137.56 15.43 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.09 1.756 . . . . 0.0 111.045 -178.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -156.68 7.95 0.19 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.53 1.532 . . . . 0.0 113.998 -176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.62 -5.11 56.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.961 1.704 . . . . 0.0 113.37 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -82.13 3.76 25.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.243 1.817 . . . . 0.0 113.461 -173.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -153.87 139.76 18.16 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.448 1.499 . . . . 0.0 110.464 -178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.9 p -161.11 154.94 22.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.249 1.42 . . . . 0.0 111.871 -177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -161.11 151.13 17.36 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.726 1.611 . . . . 0.0 111.217 -175.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -157.17 137.85 13.18 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.602 1.561 . . . . 0.0 111.141 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 t -164.98 158.33 16.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.459 1.504 . . . . 0.0 110.934 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -160.79 172.59 16.75 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.669 1.588 . . . . 0.0 112.027 -174.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -134.36 158.7 43.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.699 1.599 . . . . 0.0 111.166 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -155.67 -171.68 3.86 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.494 1.518 . . . . 0.0 112.273 -172.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -147.26 141.11 25.79 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.29 1.436 . . . . 0.0 110.305 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.1 t -162.77 -175.06 4.22 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.109 1.763 . . . . 0.0 110.51 -177.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -136.97 123.46 20.85 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.52 1.528 . . . . 0.0 110.454 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 77.4 p -133.41 -2.09 3.12 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.864 1.265 . . . . 0.0 114.174 -175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -148.92 145.87 27.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.942 2.097 . . . . 0.0 109.39 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.4 t -164.29 164.35 22.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.123 1.369 . . . . 0.0 111.5 -178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -161.68 135.66 6.72 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.963 1.705 . . . . 0.0 110.091 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -159.21 152.87 22.91 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.982 1.713 . . . . 0.0 111.051 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -164.13 158.7 19.53 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.558 1.543 . . . . 0.0 112.353 -173.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -165.25 139.94 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 126.446 1.899 . . . . 0.0 109.54 179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -163.08 166.61 23.37 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.589 1.556 . . . . 0.0 112.483 -175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -158.76 150.36 20.86 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.685 1.994 . . . . 0.0 110.257 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -159.48 160.15 34.34 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.327 1.451 . . . . 0.0 111.644 -175.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -71.32 145.82 49.24 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.467 1.507 . . . . 0.0 112.846 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -161.77 146.91 13.25 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.079 1.352 . . . . 0.0 111.515 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -81.45 -6.14 58.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.761 1.224 . . . . 0.0 112.808 172.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 70.71 1.9 3.91 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.228 2.611 . . . . 0.0 114.981 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -150.39 150.08 28.12 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 126.442 1.897 . . . . 0.0 112.323 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -77.77 -25.28 7.92 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.191 2.594 . . . . 0.0 113.0 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -168.45 167.06 12.01 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.711 2.004 . . . . 0.0 111.441 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -146.32 158.93 27.85 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 125.233 1.397 . . . . 0.0 112.735 172.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.08 160.37 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 124.232 3.288 . . . . 0.0 112.044 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -158.32 146.82 18.77 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.667 1.587 . . . . 0.0 111.751 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -141.65 8.84 1.97 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.405 1.482 . . . . 0.0 114.091 -172.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -69.77 127.68 33.76 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.83 1.252 . . . . 0.0 112.081 -171.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.5 pttp -82.53 151.09 26.59 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.378 1.071 . . . . 0.0 113.406 -178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -153.01 6.07 0.37 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.146 1.378 . . . . 0.0 114.455 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.4 p -173.76 -178.98 1.68 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.883 2.073 . . . . 0.0 110.324 -169.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -155.23 165.32 37.04 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.882 1.273 . . . . 0.0 112.031 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -154.93 149.97 26.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.601 1.961 . . . . 0.0 109.679 174.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -141.81 157.12 45.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.878 1.271 . . . . 0.0 111.693 -169.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.55 163.42 11.17 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.797 1.239 . . . . 0.0 114.308 -178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 -69.55 160.64 31.12 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.036 0.934 . . . . 0.0 111.994 170.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.1 -166.29 14.78 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.552 1.549 . . . . 0.0 112.623 -174.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.47 124.18 6.77 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.967 0.794 . . . . 0.0 111.965 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.15 -11.21 61.56 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.649 1.119 . . . . 0.0 114.689 -178.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.0 m -70.6 134.25 47.44 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.38 1.09 . . . . 0.0 112.364 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -64.1 140.58 58.88 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.967 0.907 . . . . 0.0 112.329 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -114.65 130.6 56.82 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.243 1.417 . . . . 0.0 111.181 -177.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -164.06 164.74 22.88 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.76 1.624 . . . . 0.0 111.377 -172.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.86 34.26 0.6 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.991 1.316 . . . . 0.0 111.417 -176.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -64.33 124.36 21.54 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.337 1.055 . . . . 0.0 111.752 -178.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t -167.71 173.71 8.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.963 1.705 . . . . 0.0 110.672 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.7 p -163.17 154.99 17.73 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.559 1.543 . . . . 0.0 111.974 -177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -165.62 158.99 16.06 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.623 1.569 . . . . 0.0 112.224 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -161.71 145.2 12.4 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.809 1.644 . . . . 0.0 111.675 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -162.48 146.49 11.8 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.151 1.781 . . . . 0.0 111.393 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -167.29 161.23 14.17 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.131 1.772 . . . . 0.0 110.128 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.7 m -164.01 154.02 14.77 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.882 1.673 . . . . 0.0 111.32 -178.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -165.14 164.98 20.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.178 1.791 . . . . 0.0 111.662 -175.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -157.73 118.9 3.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.447 1.499 . . . . 0.0 109.264 175.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -166.45 158.58 13.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.142 1.777 . . . . 0.0 110.006 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 28.9 p -74.64 162.77 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.822 1.249 . . . . 0.0 114.001 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -159.02 157.21 30.78 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.998 1.719 . . . . 0.0 111.77 -169.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.82 151.88 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 112.35 -178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.46 -20.93 65.55 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -169.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -166.83 152.55 8.01 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.506 1.922 . . . . 0.0 110.657 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.3 157.89 14.87 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.747 1.641 . . . . 0.0 113.35 -177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.36 17.49 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 127.199 2.2 . . . . 0.0 114.16 -179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -137.99 134.85 35.36 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.621 1.568 . . . . 0.0 110.488 -178.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.07 141.56 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.386 1.475 . . . . 0.0 111.342 -169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.99 166.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.093 2.157 . . . . 0.0 109.344 -176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mtmt -50.45 106.24 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.081 1.753 . . . . 0.0 110.989 171.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -159.02 172.98 17.17 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.998 1.719 . . . . 0.0 111.064 -168.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.4 -18.53 11.39 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.889 1.275 . . . . 0.0 113.805 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.469 ' HE2' ' HB3' ' A' ' 133' ' ' ALA . 51.9 tttm -47.32 -42.77 21.91 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.759 2.024 . . . . 0.0 112.054 168.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -75.83 -20.33 58.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.211 1.004 . . . . 0.0 112.529 -174.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -95.68 -11.02 27.78 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.33 1.452 . . . . 0.0 113.32 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.45 -10.94 36.12 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.773 1.629 . . . . 0.0 113.83 -172.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.6 mt -66.97 136.15 54.88 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.115 0.966 . . . . 0.0 113.082 -169.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.0 t70 65.74 15.64 10.14 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.817 2.447 . . . . 0.0 115.051 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -70.27 -13.17 62.05 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.175 -0.953 . . . . 0.0 111.843 169.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -158.26 142.17 15.59 Favored 'General case' 0 CA--C 1.539 0.526 1 C-N-CA 132.163 4.185 . . . . 0.0 104.545 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -97.96 -16.19 19.8 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.621 1.711 . . . . 0.0 115.621 -166.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -102.1 -27.09 13.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -169.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.65 -21.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 125.147 1.379 . . . . 0.0 112.453 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -12.93 61.3 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.136 -0.978 . . . . 0.0 112.476 169.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -52.72 -24.5 8.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.038 1.866 . . . . 0.0 116.038 -168.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -91.38 -23.71 19.98 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 169.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mt -68.0 -20.76 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.539 1.936 . . . . 0.0 111.468 -167.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 50.9 p -67.08 -10.7 52.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.308 1.443 . . . . 0.0 114.637 172.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -135.65 -72.91 0.46 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.259 1.424 . . . . 0.0 109.434 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.469 ' HB3' ' HE2' ' A' ' 116' ' ' LYS . . . 66.79 9.0 6.39 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.596 2.359 . . . . 0.0 117.2 169.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -108.28 8.46 27.79 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.311 1.044 . . . . 0.0 112.321 173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -103.09 -2.23 27.79 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.657 1.583 . . . . 0.0 113.612 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 9.0 t -159.78 166.55 30.17 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.805 -1.184 . . . . 0.0 112.513 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -102.63 21.65 14.99 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 127.194 2.198 . . . . 0.0 112.463 -173.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -72.75 -5.64 39.21 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.97 1.708 . . . . 0.0 114.324 -174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -57.64 -38.64 75.39 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.17 1.388 . . . . 0.0 114.684 -175.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 46.9 tp -64.37 -50.58 67.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.807 1.185 . . . . 0.0 111.014 171.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.0 m -62.85 -41.84 99.51 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.677 1.191 . . . . 0.0 112.21 -175.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -70.98 -33.24 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.41 0.684 . . . . 0.0 112.02 178.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.4 t -69.05 -18.6 64.04 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 120.994 -1.066 . . . . 0.0 112.863 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -71.14 -17.91 62.53 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.567 -0.708 . . . . 0.0 112.43 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -97.99 -42.29 7.58 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.048 1.339 . . . . 0.0 110.993 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -65.71 -13.9 60.2 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -48.62 -30.08 5.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.53 1.932 . . . . 0.0 112.685 166.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.7 mt -123.33 -22.81 4.99 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.562 1.545 . . . . 0.0 114.294 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 54.7 mt -74.09 -58.28 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 CA-C-N 119.789 1.177 . . . . 0.0 111.009 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.6 t -157.22 118.77 3.72 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -70.12 -18.58 63.24 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.747 -0.596 . . . . 0.0 112.018 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.58 -31.35 69.37 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 120.962 -1.086 . . . . 0.0 112.655 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -70.28 -38.95 75.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 118.736 0.698 . . . . 0.0 111.28 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 15.8 t -59.37 -39.45 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.733 0.813 . . . . 0.0 110.894 170.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -67.11 -36.53 82.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 122.232 -0.292 . . . . 0.0 111.635 174.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.2 -37.34 83.47 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.445 1.098 . . . . 0.0 112.864 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -80.49 -30.24 37.35 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -78.07 -27.83 48.67 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.573 1.079 . . . . 0.0 112.503 176.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 63.81 27.14 14.55 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.21 1.804 . . . . 0.0 113.586 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -78.83 86.2 4.76 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.083 -1.01 . . . . 0.0 111.473 -178.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 22.7 m95 -119.64 0.09 10.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.479 1.511 . . . . 0.0 114.363 -173.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 87.9 26.71 28.42 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.28 1.419 . . . . 0.0 113.875 178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 28.2 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.25 1.82 . . . . 0.0 112.644 -173.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 m . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 111.144 0.053 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -163.53 167.29 21.59 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.984 1.714 . . . . 0.0 111.073 -178.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -136.86 151.15 48.79 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.062 1.345 . . . . 0.0 111.624 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -158.79 167.58 29.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.758 1.623 . . . . 0.0 111.647 -173.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.0 tp -150.66 128.24 11.51 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.758 177.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -165.11 163.19 20.51 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.028 1.731 . . . . 0.0 110.92 -172.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -154.59 145.79 22.85 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.897 1.279 . . . . 0.0 110.474 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -78.83 38.98 0.34 Allowed 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.896 1.679 . . . . 0.0 113.032 -174.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.0 m -77.06 159.05 30.15 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.577 1.551 . . . . 0.0 112.84 177.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -153.43 152.94 31.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.249 1.42 . . . . 0.0 112.299 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -163.55 156.55 18.55 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.494 1.918 . . . . 0.0 110.726 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.3 t -160.71 160.28 31.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.603 1.161 . . . . 0.0 112.15 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -75.23 162.17 28.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.212 1.405 . . . . 0.0 112.973 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -153.43 149.72 28.06 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.41 1.484 . . . . 0.0 111.399 -179.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -161.97 167.65 24.18 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.203 1.801 . . . . 0.0 111.538 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -141.27 152.28 44.38 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.64 1.576 . . . . 0.0 110.542 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.4 m -64.89 136.81 57.27 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.3 1.04 . . . . 0.0 113.027 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -75.8 152.32 37.35 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.251 1.02 . . . . 0.0 112.581 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -163.62 161.54 23.81 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.619 1.568 . . . . 0.0 110.994 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -162.45 144.46 10.77 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.709 1.604 . . . . 0.0 110.432 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 m -76.41 54.72 0.94 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.727 1.611 . . . . 0.0 113.059 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.28 146.32 55.08 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.407 1.483 . . . . 0.0 112.437 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -156.39 157.04 34.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.758 1.623 . . . . 0.0 111.558 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -78.01 150.93 33.8 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.947 1.299 . . . . 0.0 113.048 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.6 m -149.29 156.36 7.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.697 1.999 . . . . 0.0 110.461 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -158.04 158.27 34.49 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.523 1.529 . . . . 0.0 111.372 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.4 m -96.02 140.87 30.14 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.968 1.307 . . . . 0.0 113.219 -172.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -82.59 150.24 26.99 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.821 1.248 . . . . 0.0 111.762 171.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -156.59 143.06 18.39 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.158 1.383 . . . . 0.0 111.766 -176.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 t -164.15 169.31 17.91 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.812 1.645 . . . . 0.0 111.169 -178.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -159.26 147.99 18.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.903 1.681 . . . . 0.0 111.721 -173.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -157.42 153.23 26.87 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.743 1.617 . . . . 0.0 111.325 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.95 119.99 42.71 Favored Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 124.959 1.304 . . . . 0.0 112.488 -176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -85.0 -30.65 0.48 Allowed 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.155 2.57 . . . . 0.0 112.639 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -171.07 -27.14 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.607 1.963 . . . . 0.0 113.209 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.58 177.36 20.72 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.426 1.488 . . . . 0.0 115.032 172.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.65 176.76 9.52 Favored 'Trans proline' 0 CA--C 1.54 0.781 0 C-N-CA 124.507 3.471 . . . . 0.0 112.246 -178.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -149.53 142.84 25.19 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.778 1.631 . . . . 0.0 110.832 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.5 m0 -70.66 153.39 42.88 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.565 1.146 . . . . 0.0 113.7 -170.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -61.7 150.64 36.05 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.509 1.124 . . . . 0.0 112.847 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -97.71 20.06 12.58 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.297 1.439 . . . . 0.0 112.701 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.7 173.49 4.25 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.02 2.128 . . . . 0.0 113.021 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 t 70.59 -160.54 0.15 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 126.143 1.777 . . . . 0.0 112.196 -175.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -150.18 150.14 31.19 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.644 1.578 . . . . 0.0 111.822 -176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -138.28 118.9 13.95 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.679 1.592 . . . . 0.0 108.609 -175.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -139.84 150.22 44.4 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.186 1.395 . . . . 0.0 112.121 -167.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -72.26 169.7 15.65 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.076 1.35 . . . . 0.0 112.462 175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -65.63 139.16 58.4 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.871 0.868 . . . . 0.0 110.922 174.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -85.48 169.86 43.76 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.432 1.015 . . . . 0.0 113.983 -177.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.79 8.13 74.06 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.392 1.472 . . . . 0.0 114.904 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.17 -132.03 25.43 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 118.631 1.216 . . . . 0.0 111.425 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.4 m -72.21 -9.49 58.52 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 176.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.2 t30 60.65 23.48 13.28 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 126.26 1.824 . . . . 0.0 113.571 178.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -76.59 168.41 20.12 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.339 1.456 . . . . 0.0 114.195 -174.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -156.16 165.8 35.34 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.506 1.923 . . . . 0.0 110.428 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.2 tp -131.27 76.16 1.7 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.074 1.35 . . . . 0.0 110.391 -174.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -78.08 140.0 39.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 174.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.3 t -90.38 126.28 35.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.528 0.731 . . . . 0.0 109.668 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.9 p -152.78 10.38 0.47 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.949 1.463 . . . . 0.0 114.949 -169.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -154.32 124.79 6.98 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 121.14 -0.975 . . . . 0.0 112.649 -174.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -164.63 157.19 16.59 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 127.216 2.206 . . . . 0.0 110.787 173.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -158.25 -43.76 0.06 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.764 1.226 . . . . 0.0 112.654 176.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -167.12 -169.13 1.2 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.521 1.528 . . . . 0.0 110.993 -177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 58.3 m -155.91 152.82 28.75 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.33 1.852 . . . . 0.0 111.526 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -75.3 159.14 31.83 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.64 1.176 . . . . 0.0 113.269 -175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -72.21 155.16 40.52 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.697 1.599 . . . . 0.0 112.71 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.87 152.38 42.65 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.0 t -159.09 -178.89 7.55 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.377 1.471 . . . . 0.0 111.354 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -155.88 134.06 11.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.071 1.748 . . . . 0.0 111.264 -173.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 26.2 mp0 -68.2 145.7 54.07 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.996 1.318 . . . . 0.0 112.781 -175.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -84.99 18.55 2.44 Favored 'General case' 0 CA--C 1.552 1.056 0 C-N-CA 125.302 1.441 . . . . 0.0 112.499 177.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -73.55 121.83 21.25 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.466 1.506 . . . . 0.0 112.387 -176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -84.43 51.97 4.64 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 125.406 1.479 . . . . 0.0 114.326 -170.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.02 -2.72 5.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -55.4 130.08 41.17 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.067 1.347 . . . . 0.0 112.311 174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.1 m -145.36 152.0 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.409 1.484 . . . . 0.0 110.801 171.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.3 p -163.28 165.39 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.625 1.97 . . . . 0.0 108.325 -175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -68.95 86.95 0.36 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 122.024 0.916 . . . . 0.0 111.549 174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.2 p -155.56 -133.96 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.919 1.687 . . . . 0.0 110.177 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.91 65.04 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -170.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -58.46 -27.74 64.68 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 119.454 1.025 . . . . 0.0 112.392 172.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -69.29 -36.62 77.23 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.394 0.678 . . . . 0.0 112.618 178.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.14 -14.79 22.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.66 -32.84 35.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.932 1.693 . . . . 0.0 112.036 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 74.6 mt -60.9 149.02 37.65 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.732 -0.605 . . . . 0.0 111.732 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 19.5 t70 76.48 -1.51 2.88 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 128.143 2.577 . . . . 0.0 114.733 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.54 -4.88 42.4 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 124.597 1.159 . . . . 0.0 113.558 175.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.81 171.43 6.08 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 129.4 3.08 . . . . 0.0 108.414 -172.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -126.57 -8.91 6.24 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.195 0.998 . . . . 0.0 113.417 -173.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -111.75 -60.05 1.9 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.338 1.455 . . . . 0.0 112.895 -170.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.86 -3.36 7.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.58 1.552 . . . . 0.0 111.892 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -19.38 22.87 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.251 1.42 . . . . 0.0 112.995 171.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -57.91 -28.7 64.48 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 -166.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -24.84 22.14 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.0 mt -66.2 -25.1 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.533 1.533 . . . . 0.0 111.033 -171.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.4 m -67.74 -13.67 62.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.284 1.434 . . . . 0.0 114.349 174.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -123.11 -39.67 2.47 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.045 1.338 . . . . 0.0 111.738 178.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.61 10.68 4.26 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.75 2.02 . . . . 0.0 115.81 169.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -89.55 -4.32 57.93 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.952 1.701 . . . . 0.0 112.522 -169.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -83.19 94.05 7.79 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 121.285 -0.884 . . . . 0.0 111.833 -174.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.7 m -70.56 14.66 0.12 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.65 1.98 . . . . 0.0 115.501 -178.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -131.23 -5.24 3.84 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.673 1.589 . . . . 0.0 113.112 174.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -98.33 -34.24 10.76 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.61 1.164 . . . . 0.0 113.891 -178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -60.15 -33.76 72.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.51 -54.31 47.03 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.049 0.841 . . . . 0.0 110.863 170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 32.9 m -66.7 -37.08 84.0 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.718 1.207 . . . . 0.0 112.295 -176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.2 tt -69.76 -35.46 65.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.703 0.683 . . . . 0.0 111.184 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.9 t -65.23 -27.44 68.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.966 -1.084 . . . . 0.0 112.584 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.92 -14.44 63.04 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -115.01 -28.38 7.03 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 172.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -65.76 -16.9 64.22 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 120.962 -1.086 . . . . 0.0 113.794 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -46.9 -34.8 5.77 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 112.675 168.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 96.3 mt -113.62 -20.44 11.21 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.161 1.785 . . . . 0.0 113.817 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 55.6 mt -79.51 -56.32 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 124.014 0.926 . . . . 0.0 110.788 178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.5 m -162.01 115.88 1.85 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 0.0 113.223 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -62.59 -22.14 66.15 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.0 mt -58.29 -40.33 81.64 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.723 1.209 . . . . 0.0 111.977 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -65.89 -45.99 79.99 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.873 -0.517 . . . . 0.0 110.375 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 17.0 t -57.26 -40.8 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.099 0.959 . . . . 0.0 110.501 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.54 -32.29 71.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.159 0.799 . . . . 0.0 113.159 177.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.47 -28.76 67.32 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 119.374 0.988 . . . . 0.0 112.759 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -90.74 -28.15 18.48 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 173.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 71.2 tp60 -79.19 -48.16 14.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.212 -0.93 . . . . 0.0 111.565 -179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 65.84 25.1 11.28 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.503 1.921 . . . . 0.0 115.621 168.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -75.24 59.27 1.0 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.303 1.041 . . . . 0.0 111.825 171.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -86.59 -35.54 19.38 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.521 1.528 . . . . 0.0 113.39 -176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -106.47 -2.55 37.89 Favored Glycine 0 N--CA 1.475 1.278 0 C-N-CA 125.158 1.361 . . . . 0.0 115.062 -175.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 C--O 1.251 1.177 0 C-N-CA 125.909 1.684 . . . . 0.0 113.142 -176.324 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 111.187 0.069 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -161.12 142.42 11.67 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.537 1.535 . . . . 0.0 110.009 -177.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -160.13 161.84 33.85 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.1 1.36 . . . . 0.0 112.042 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -162.03 167.98 23.51 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.053 1.741 . . . . 0.0 111.28 -174.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.9 tp -151.13 121.54 7.35 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.272 1.429 . . . . 0.0 109.897 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.55 131.07 44.11 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.121 . . . . 0.0 111.591 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -168.18 156.98 9.07 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.302 1.441 . . . . 0.0 111.131 -170.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -163.04 156.38 19.58 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.803 1.641 . . . . 0.0 110.945 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.5 t -165.5 178.72 6.56 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.576 1.551 . . . . 0.0 111.234 -178.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -158.0 152.39 24.62 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.683 1.993 . . . . 0.0 111.558 -178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -163.53 163.64 24.57 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.665 1.586 . . . . 0.0 112.329 -171.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.3 m -150.19 156.75 42.18 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.592 1.557 . . . . 0.0 111.235 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -136.08 148.12 48.16 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.356 1.462 . . . . 0.0 110.805 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -135.5 13.74 3.47 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.617 1.167 . . . . 0.0 113.191 -169.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -70.37 106.86 3.53 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.033 0.933 . . . . 0.0 110.652 177.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -166.85 157.2 11.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.292 1.837 . . . . 0.0 109.484 -170.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.4 t -148.65 159.64 43.91 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.601 1.16 . . . . 0.0 111.563 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -162.06 151.2 15.67 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.348 1.859 . . . . 0.0 109.782 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.9 m -70.11 124.78 24.95 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.135 0.974 . . . . 0.0 112.67 -176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -158.39 119.19 3.37 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.716 1.606 . . . . 0.0 108.95 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 p -170.91 168.17 7.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.187 1.395 . . . . 0.0 111.894 -170.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -77.97 146.63 35.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.989 0.916 . . . . 0.0 111.253 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.23 150.39 48.34 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.198 0.999 . . . . 0.0 113.137 -178.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -159.22 162.02 36.17 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.345 1.858 . . . . 0.0 110.77 -178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.6 p -163.77 140.59 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.911 1.685 . . . . 0.0 110.672 -173.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -80.19 135.8 36.35 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.672 1.189 . . . . 0.0 111.881 177.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -145.72 151.44 38.0 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.027 1.331 . . . . 0.0 111.879 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -158.49 148.77 19.95 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.915 1.686 . . . . 0.0 110.934 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -158.06 139.52 13.6 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.579 1.551 . . . . 0.0 111.299 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -165.0 168.65 17.24 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.459 1.504 . . . . 0.0 111.247 -177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -159.8 143.41 14.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.306 1.842 . . . . 0.0 111.142 -176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -158.55 148.27 19.48 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.272 1.429 . . . . 0.0 111.683 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.57 147.52 98.71 Favored Pre-proline 0 CA--C 1.554 1.108 0 C-N-CA 124.148 0.979 . . . . 0.0 112.983 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -76.54 -19.58 14.63 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.412 2.741 . . . . 0.0 113.762 -176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -147.59 147.76 30.4 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.986 1.314 . . . . 0.0 112.173 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.97 178.4 48.28 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.843 1.211 . . . . 0.0 113.11 172.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.75 144.95 50.17 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.774 2.983 . . . . 0.0 110.933 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -162.43 144.44 10.8 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.268 1.427 . . . . 0.0 111.242 -175.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 23.8 m95 -123.95 126.96 47.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.227 1.411 . . . . 0.0 110.659 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -155.29 142.16 19.05 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 109.809 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.44 154.21 16.26 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.575 1.55 . . . . 0.0 112.559 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -70.27 162.79 27.82 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.462 1.105 . . . . 0.0 112.321 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.9 t -152.31 172.2 16.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.106 0.963 . . . . 0.0 112.442 -174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -165.72 157.9 14.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.723 2.009 . . . . 0.0 109.775 -172.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -147.91 109.84 4.5 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.568 1.147 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -164.75 149.35 9.39 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.123 1.769 . . . . 0.0 110.675 -174.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -151.75 177.59 10.23 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.033 1.733 . . . . 0.0 111.997 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -79.63 70.71 6.17 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.561 1.144 . . . . 0.0 110.975 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -92.74 -0.25 69.35 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.323 1.44 . . . . 0.0 114.424 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.03 -152.06 21.63 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.602 1.572 . . . . 0.0 113.287 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 88.4 -137.7 14.51 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.682 1.134 . . . . 0.0 112.066 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 10.0 t -159.65 164.05 34.39 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.149 1.379 . . . . 0.0 111.463 -177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -158.44 146.69 18.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.727 1.611 . . . . 0.0 111.289 -176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -159.28 170.88 20.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.884 1.674 . . . . 0.0 112.517 -176.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -137.58 158.49 44.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.278 1.431 . . . . 0.0 111.788 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.9 tp -84.13 -1.73 55.52 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.213 1.405 . . . . 0.0 113.604 -175.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.43 148.96 26.27 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.74 1.216 . . . . 0.0 113.468 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -132.5 -163.82 1.39 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.593 1.557 . . . . 0.0 110.987 172.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.9 t -161.23 176.92 10.72 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.938 1.695 . . . . 0.0 111.782 -176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -157.76 176.55 12.44 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.868 1.667 . . . . 0.0 112.65 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -134.32 179.4 6.29 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.81 1.644 . . . . 0.0 112.287 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -155.31 146.98 23.15 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.116 1.766 . . . . 0.0 111.096 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.1 m -76.29 108.62 9.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.164 0.986 . . . . 0.0 111.444 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.1 p -84.03 170.36 13.99 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.072 1.349 . . . . 0.0 113.747 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -150.75 145.05 25.51 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.699 1.6 . . . . 0.0 111.068 -178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -78.74 -7.85 58.16 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -131.86 67.75 1.51 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.853 1.261 . . . . 0.0 111.24 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 67.2 p -157.68 -99.14 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.081 1.352 . . . . 0.0 111.164 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.9 t70 65.88 -56.68 0.35 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 129.784 3.234 . . . . 0.0 114.732 173.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -137.78 -8.6 1.63 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.952 2.101 . . . . 0.0 112.671 174.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -84.92 -170.48 3.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.091 1.757 . . . . 0.0 110.888 171.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -56.12 143.6 32.42 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.736 1.214 . . . . 0.0 112.804 171.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 90.15 29.19 15.5 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.596 1.093 . . . . 0.0 112.333 -169.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.7 tptt -68.7 -45.91 70.4 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.345 1.458 . . . . 0.0 114.069 -168.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 83.2 mttt 65.84 130.93 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 128.143 2.577 . . . . 0.0 112.681 -171.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 46.1 t -145.86 127.27 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 O-C-N 120.979 -1.076 . . . . 0.0 110.897 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.7 p -169.76 152.12 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 127.471 2.308 . . . . 0.0 108.793 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt 59.77 61.3 1.97 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.944 1.298 . . . . 0.0 112.346 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.3 p -163.94 -166.77 1.22 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.16 1.384 . . . . 0.0 111.874 -171.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.89 -14.47 1.46 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.641 1.176 . . . . 0.0 114.041 169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.37 -21.81 27.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.422 1.489 . . . . 0.0 112.515 168.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.4 -19.81 38.35 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 124.974 1.309 . . . . 0.0 113.264 175.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -119.19 -19.45 8.35 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.95 1.3 . . . . 0.0 114.467 -170.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -78.29 -16.58 57.61 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.827 2.051 . . . . 0.0 112.905 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.8 152.42 23.07 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.117 1.367 . . . . 0.0 113.681 -174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.0 t70 79.36 -2.41 2.18 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 129.178 2.991 . . . . 0.0 115.446 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -84.2 -8.31 59.1 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -173.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.25 77.96 0.73 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.904 1.682 . . . . 0.0 110.822 -178.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -31.37 -45.92 0.09 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 129.926 3.29 . . . . 0.0 117.452 -167.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -93.34 -16.77 24.32 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -169.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 7.9 p -116.6 -18.34 7.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.575 1.15 . . . . 0.0 111.855 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -75.06 -25.66 58.8 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.131 -0.981 . . . . 0.0 112.322 169.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.56 -28.75 3.62 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 116.424 2.009 . . . . 0.0 116.424 -167.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.54 -20.79 24.61 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.395 1.478 . . . . 0.0 114.747 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.77 -24.66 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.724 1.61 . . . . 0.0 110.415 -173.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 14.8 m -58.12 -27.25 63.57 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.411 1.084 . . . . 0.0 112.982 170.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -103.08 -56.79 2.16 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.333 1.453 . . . . 0.0 110.466 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 64.97 7.61 4.12 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.942 2.097 . . . . 0.0 116.652 171.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -87.48 -5.25 58.89 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.067 1.347 . . . . 0.0 111.719 177.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -73.75 65.97 1.06 Allowed 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.632 1.173 . . . . 0.0 110.202 169.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 69.3 m -61.57 -16.86 51.82 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.203 1.801 . . . . 0.0 115.308 -170.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -91.46 -21.45 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 113.745 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.86 -22.2 46.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.389 1.075 . . . . 0.0 111.956 174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 47.8 m95 -58.88 -26.49 64.31 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.46 -53.22 14.67 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.074 0.852 . . . . 0.0 110.825 169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.21 -42.48 95.23 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.464 1.506 . . . . 0.0 112.422 -175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.7 tt -71.07 -30.95 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 123.647 0.779 . . . . 0.0 112.105 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 58.1 m -71.74 -17.75 62.18 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.068 -1.02 . . . . 0.0 113.084 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -71.6 -17.43 62.28 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 121.908 -0.495 . . . . 0.0 112.025 170.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -96.65 -43.96 7.33 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.988 1.315 . . . . 0.0 111.26 173.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.43 -14.32 62.0 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -173.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -45.57 -31.06 1.67 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.255 2.222 . . . . 0.0 113.69 168.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.0 mt -121.66 -13.8 8.27 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.342 1.457 . . . . 0.0 114.688 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 58.6 mt -80.04 -59.21 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 124.166 0.987 . . . . 0.0 110.628 178.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 22.8 t -159.46 126.04 4.51 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -177.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -77.38 -16.43 58.87 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.843 -0.536 . . . . 0.0 112.384 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.71 -30.27 70.64 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.904 -1.122 . . . . 0.0 112.493 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.4 -38.63 87.94 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.385 0.674 . . . . 0.0 111.286 174.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.68 -41.06 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 O-C-N 121.364 -0.835 . . . . 0.0 110.454 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -63.75 -32.92 74.57 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 176.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.4 -37.96 89.37 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 123.398 0.679 . . . . 0.0 112.227 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -93.44 -21.53 19.44 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -95.56 -24.56 16.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.214 0.915 . . . . 0.0 112.91 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 51.76 46.07 27.15 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.012 1.725 . . . . 0.0 111.82 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -75.29 29.26 0.1 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.107 2.163 . . . . 0.0 114.662 -170.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 33.5 m95 -74.6 -11.25 60.15 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.204 1.802 . . . . 0.0 114.718 -172.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 100.02 4.44 55.44 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.767 1.651 . . . . 0.0 115.12 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.333 1.853 . . . . 0.0 111.959 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 119.427 -0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 68.78 172.13 0.29 Allowed 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 126.884 2.074 . . . . 0.0 112.785 -176.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.7 t -160.52 161.56 32.76 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.226 1.41 . . . . 0.0 111.394 -178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -162.55 169.68 19.86 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.623 1.969 . . . . 0.0 111.25 -172.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -151.98 160.55 43.45 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.675 1.59 . . . . 0.0 111.91 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -162.36 166.74 24.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.633 1.573 . . . . 0.0 112.353 -172.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -162.72 176.58 10.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.243 1.817 . . . . 0.0 110.523 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -77.34 44.83 0.44 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.753 1.621 . . . . 0.0 113.087 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.4 m -72.19 152.22 42.39 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.762 -1.211 . . . . 0.0 112.63 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -157.21 160.19 38.45 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.702 1.601 . . . . 0.0 110.909 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -151.47 1.61 0.39 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 127.316 2.246 . . . . 0.0 113.332 179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 56.2 m -81.88 16.74 1.74 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.954 1.302 . . . . 0.0 114.061 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -61.83 152.73 30.78 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.604 1.562 . . . . 0.0 113.21 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -157.04 158.98 37.51 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.839 1.656 . . . . 0.0 111.173 -177.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -148.05 125.02 11.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.231 1.412 . . . . 0.0 110.694 177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -89.18 -14.91 35.0 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 124.839 1.255 . . . . 0.0 112.849 -178.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.5 m -73.19 137.38 45.02 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 120.567 -1.333 . . . . 0.0 112.766 -177.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -160.16 142.61 13.25 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.886 1.674 . . . . 0.0 109.575 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.9 m -162.54 154.52 18.61 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.93 1.692 . . . . 0.0 111.19 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -161.67 149.5 14.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.009 1.724 . . . . 0.0 109.604 -176.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -67.05 147.7 52.85 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.43 -0.793 . . . . 0.0 112.688 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -158.81 149.14 19.69 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.609 1.564 . . . . 0.0 110.426 -172.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.64 -175.65 5.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.942 1.697 . . . . 0.0 111.53 -177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -68.06 150.54 48.3 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.959 1.304 . . . . 0.0 113.323 179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.6 t -145.05 141.29 22.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 126.61 1.964 . . . . 0.0 108.766 -175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -152.27 165.89 33.49 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.341 1.456 . . . . 0.0 112.407 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.6 p -159.12 168.03 27.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.472 1.509 . . . . 0.0 112.087 -176.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -156.49 150.53 25.12 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.602 1.561 . . . . 0.0 111.402 -174.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -157.59 140.28 14.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.566 1.547 . . . . 0.0 111.387 -176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 81.3 p -166.55 171.29 11.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 111.729 -177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -149.56 122.04 8.52 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.829 1.251 . . . . 0.0 111.367 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.36 8.32 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 127.306 2.242 . . . . 0.0 110.627 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -145.58 143.63 20.47 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 124.807 1.243 . . . . 0.0 112.431 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -80.88 -25.67 4.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.261 2.641 . . . . 0.0 112.93 -178.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -171.6 173.86 4.54 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.712 2.005 . . . . 0.0 111.602 -175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.91 150.88 26.29 Favored Glycine 0 CA--C 1.54 1.65 0 C-N-CA 125.661 1.6 . . . . 0.0 113.494 175.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.83 168.42 22.31 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 124.083 3.189 . . . . 0.0 112.971 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -161.16 142.05 11.39 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.903 2.081 . . . . 0.0 109.982 172.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -163.07 154.16 17.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.863 1.265 . . . . 0.0 113.159 -174.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -79.98 159.98 26.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.954 1.302 . . . . 0.0 112.28 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -123.88 171.43 9.69 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.736 1.615 . . . . 0.0 111.943 -177.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -61.62 154.67 24.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.355 1.062 . . . . 0.0 112.917 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 88.8 p -162.17 -178.43 6.36 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.035 1.334 . . . . 0.0 112.227 -170.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -157.22 169.51 24.6 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.959 1.703 . . . . 0.0 111.122 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -150.09 109.13 3.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.616 1.166 . . . . 0.0 110.328 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -152.21 174.56 13.61 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.862 2.065 . . . . 0.0 110.863 -173.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 93.7 mttt 69.77 21.17 6.56 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.298 1.839 . . . . 0.0 114.492 170.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -74.34 153.33 39.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.278 1.031 . . . . 0.0 111.115 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.88 -135.01 13.95 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 124.063 0.84 . . . . 0.0 112.564 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 96.29 173.88 35.69 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.188 1.375 . . . . 0.0 113.696 -177.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.69 -173.49 49.52 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.005 1.288 . . . . 0.0 114.03 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 71.6 p -82.47 -8.46 59.62 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.975 1.31 . . . . 0.0 114.336 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 56.8 t30 65.76 12.1 8.07 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.864 2.065 . . . . 0.0 114.156 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -68.31 145.44 54.21 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.794 -1.191 . . . . 0.0 112.512 178.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -77.5 164.11 25.71 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.706 1.202 . . . . 0.0 112.479 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.9 tp -127.4 18.13 6.98 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.446 1.498 . . . . 0.0 112.396 -174.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -65.04 144.68 57.11 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.407 1.083 . . . . 0.0 112.021 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.7 p -164.83 169.25 16.87 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.871 1.268 . . . . 0.0 112.066 -174.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 m -65.05 146.24 55.27 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.58 1.152 . . . . 0.0 113.382 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -156.8 158.21 36.4 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.287 1.435 . . . . 0.0 111.459 -176.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -153.3 158.65 41.91 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.205 1.402 . . . . 0.0 112.712 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -157.22 126.52 5.99 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.335 2.254 . . . . 0.0 108.585 -178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 20.5 p -79.43 154.02 29.25 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -168.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.9 m -72.29 164.47 26.23 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.16 0.984 . . . . 0.0 112.573 171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -149.02 158.33 44.1 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.29 1.436 . . . . 0.0 111.485 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -81.13 42.13 0.63 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.499 1.92 . . . . 0.0 112.892 -171.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -156.14 126.18 6.51 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.839 1.655 . . . . 0.0 109.996 179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.3 t -172.28 139.81 1.07 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.906 1.682 . . . . 0.0 110.666 -174.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -102.9 125.08 49.51 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.675 1.59 . . . . 0.0 111.0 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -83.62 117.92 23.49 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.857 0.863 . . . . 0.0 110.685 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -162.32 136.95 6.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.189 1.396 . . . . 0.0 110.394 -174.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.81 26.8 2.27 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.782 1.633 . . . . 0.0 113.295 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.96 -136.94 3.08 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.949 1.738 . . . . 0.0 113.335 -176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.0 159.52 15.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.997 2.119 . . . . 0.0 110.35 -172.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -118.63 -19.96 8.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.939 1.295 . . . . 0.0 114.468 -169.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.2 t -142.59 140.46 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 127.072 2.149 . . . . 0.0 109.068 -170.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 30.9 m -73.68 -5.02 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -138.27 128.14 25.35 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.401 2.28 . . . . 0.0 109.73 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.3 p -166.97 -171.8 1.89 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.425 1.49 . . . . 0.0 111.154 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.52 -15.58 2.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.867 1.267 . . . . 0.0 114.335 172.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -55.52 -30.44 60.69 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.796 1.238 . . . . 0.0 111.682 168.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -70.51 -15.42 62.79 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.455 1.102 . . . . 0.0 113.796 179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -116.61 -18.15 10.4 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 tt -77.61 -21.97 51.5 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.33 1.452 . . . . 0.0 113.444 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 61.3 mt -72.26 71.2 0.87 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.596 1.158 . . . . 0.0 112.445 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -170.46 -24.22 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.638 2.775 . . . . 0.0 113.135 -177.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -74.63 -13.41 60.63 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 115.489 1.663 . . . . 0.0 115.489 -170.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -179.2 3.67 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.928 2.091 . . . . 0.0 109.905 -170.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.435 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.8 tt0 -136.31 -3.32 2.18 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 -174.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -122.02 -64.45 1.21 Allowed 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.878 -1.139 . . . . 0.0 112.435 -170.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.4 p -66.44 -8.56 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 124.397 1.079 . . . . 0.0 111.614 168.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -90.62 -19.55 23.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.171 2.188 . . . . 0.0 113.421 175.321 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.79 -25.28 66.39 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -169.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.28 -30.65 30.5 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.89 1.276 . . . . 0.0 112.478 170.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 83.2 mt -67.22 -27.49 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 O-C-N 120.812 -1.18 . . . . 0.0 110.22 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.9 m -66.71 -2.11 4.58 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.46 1.504 . . . . 0.0 114.452 169.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -127.48 -53.3 1.36 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.194 1.798 . . . . 0.0 109.928 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.19 0.6 1.71 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 128.197 2.599 . . . . 0.0 116.858 169.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -85.77 5.6 31.72 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.375 1.47 . . . . 0.0 112.843 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -82.48 93.06 7.17 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.756 1.222 . . . . 0.0 112.449 -169.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 27.1 m -59.04 153.68 17.23 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.343 1.057 . . . . 0.0 112.052 169.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . 0.3 1.1 p30 61.79 -30.55 0.07 Allowed 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 128.824 2.85 . . . . 0.0 116.019 -173.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -72.24 -35.62 68.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.477 1.111 . . . . 0.0 112.47 177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -58.78 -26.24 63.85 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.7 tp -74.65 -53.81 8.61 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.452 0.569 . . . . 0.0 110.698 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 52.8 m -58.69 -40.98 85.18 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.361 1.064 . . . . 0.0 112.566 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 1.5 tt -70.67 -30.84 43.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.99 0.916 . . . . 0.0 111.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 29.3 p -68.27 -20.5 64.79 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.88 -1.137 . . . . 0.0 113.253 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -76.87 -12.62 59.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.694 0.798 . . . . 0.0 112.976 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -118.22 -21.28 8.24 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -70.79 -17.13 62.78 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 115.05 1.5 . . . . 0.0 115.05 -172.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -47.67 -34.51 8.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.922 2.089 . . . . 0.0 113.422 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 92.1 mt -106.91 -10.84 15.87 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.397 1.879 . . . . 0.0 113.843 -177.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 69.6 mt -93.34 -56.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 125.704 1.602 . . . . 0.0 110.787 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.2 t -156.02 122.87 5.27 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 122.054 0.931 . . . . 0.0 113.378 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.87 -22.05 64.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.256 1.022 . . . . 0.0 112.958 -179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.5 mt -71.35 -25.62 62.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.899 0.88 . . . . 0.0 112.797 177.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.94 -38.11 85.55 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 119.243 0.929 . . . . 0.0 111.085 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 13.0 t -50.32 -41.32 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.53 1.532 . . . . 0.0 111.636 170.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 -77.93 -35.43 50.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.8 -27.59 66.01 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.622 1.169 . . . . 0.0 113.623 -176.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -87.73 -25.43 23.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.131 0.972 . . . . 0.0 113.238 176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -85.08 -45.53 12.01 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.538 0.735 . . . . 0.0 111.518 -178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 62.19 23.4 13.83 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 168.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -76.38 86.99 3.15 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.2 -0.938 . . . . 0.0 111.533 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -104.87 -5.0 21.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.404 1.481 . . . . 0.0 113.792 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . -85.89 4.64 85.62 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.034 1.778 . . . . 0.0 115.692 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 45.7 p . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.871 1.668 . . . . 0.0 112.507 -178.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 119.276 -0.392 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -82.9 137.23 34.32 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.786 1.234 . . . . 0.0 110.759 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.7 m -147.2 144.02 28.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.303 1.441 . . . . 0.0 111.107 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -146.28 149.47 33.93 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.659 1.584 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.9 tp -156.78 128.75 7.28 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.551 1.54 . . . . 0.0 109.99 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -164.67 145.67 7.89 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.994 1.717 . . . . 0.0 110.774 -177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -162.69 163.42 26.94 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.357 1.463 . . . . 0.0 110.837 -178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -64.04 120.81 12.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.607 1.163 . . . . 0.0 110.455 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.7 m -164.25 139.86 6.06 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.281 1.432 . . . . 0.0 111.359 -173.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -163.16 132.76 4.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.191 1.796 . . . . 0.0 110.274 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -164.45 147.04 8.86 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.337 1.455 . . . . 0.0 111.636 -174.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 t -162.76 143.17 9.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.504 1.521 . . . . 0.0 110.665 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -74.89 142.31 44.08 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.759 0.824 . . . . 0.0 112.326 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -160.56 126.19 3.94 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 110.411 177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -72.16 131.26 42.55 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.676 0.79 . . . . 0.0 110.531 173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -148.36 146.71 28.63 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.287 1.035 . . . . 0.0 111.571 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 t -159.19 -174.6 4.8 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.614 1.965 . . . . 0.0 109.962 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.63 151.31 28.65 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.918 1.287 . . . . 0.0 112.637 -175.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.4 t -168.03 -178.21 3.64 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.796 2.038 . . . . 0.0 110.26 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -155.47 126.55 7.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.539 1.535 . . . . 0.0 110.007 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -167.44 178.28 5.55 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.864 1.666 . . . . 0.0 111.0 -176.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -158.44 134.9 9.43 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.378 1.871 . . . . 0.0 109.652 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -158.49 165.02 35.59 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.17 1.388 . . . . 0.0 112.43 -173.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -159.82 168.98 24.57 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.889 2.076 . . . . 0.0 109.999 -179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.3 t -132.12 110.43 16.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.751 1.62 . . . . 0.0 109.448 -176.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -169.86 145.93 3.08 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.286 2.235 . . . . 0.0 110.133 -178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 54.9 p -163.86 -55.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.131 0.972 . . . . 0.0 112.937 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -164.44 143.81 7.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.868 1.667 . . . . 0.0 111.534 -176.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -161.7 137.06 7.51 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.976 1.711 . . . . 0.0 110.937 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.4 m -167.45 154.36 8.38 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 111.122 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -158.43 135.56 9.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.639 1.576 . . . . 0.0 110.928 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -165.78 167.29 17.11 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.062 1.745 . . . . 0.0 111.622 -175.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -140.89 97.86 7.04 Favored Pre-proline 0 CA--C 1.55 0.967 0 C-N-CA 124.968 1.307 . . . . 0.0 110.92 176.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -84.21 -21.13 3.88 Favored 'Trans proline' 0 C--N 1.353 0.814 0 C-N-CA 123.476 2.784 . . . . 0.0 113.48 -175.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -168.39 178.44 4.87 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 112.125 -176.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.76 172.09 26.63 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 125.944 1.735 . . . . 0.0 113.718 177.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -59.03 142.69 99.65 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 124.276 3.317 . . . . 0.0 112.892 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -145.34 6.04 1.1 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.806 1.242 . . . . 0.0 113.179 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -83.57 178.47 7.97 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.886 1.674 . . . . 0.0 113.887 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -147.45 146.68 29.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.968 1.707 . . . . 0.0 110.005 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -158.53 152.56 23.79 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.772 1.629 . . . . 0.0 112.006 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -158.4 150.53 21.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.391 1.476 . . . . 0.0 111.5 -172.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.1 p -161.1 170.88 19.57 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.455 1.502 . . . . 0.0 111.97 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -71.71 146.77 47.97 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.265 1.026 . . . . 0.0 112.079 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -137.9 -1.57 1.99 Allowed 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -169.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -74.58 114.39 12.94 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.328 1.051 . . . . 0.0 110.055 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -82.59 174.95 10.57 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.05 1.34 . . . . 0.0 112.619 -176.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -73.44 157.06 37.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.771 0.828 . . . . 0.0 111.758 175.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.38 142.05 5.74 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.542 1.544 . . . . 0.0 113.0 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.64 141.73 18.16 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.641 1.115 . . . . 0.0 113.094 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -81.29 74.34 2.46 Favored Glycine 0 N--CA 1.47 0.909 0 C-N-CA 124.968 1.27 . . . . 0.0 111.653 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 45.1 t -159.5 -53.63 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.361 1.065 . . . . 0.0 112.481 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 63.8 t30 58.31 27.34 15.14 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.319 1.448 . . . . 0.0 113.68 178.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.09 -11.75 58.03 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -172.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -113.38 104.37 12.24 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.113 1.365 . . . . 0.0 109.733 178.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -156.38 8.5 0.22 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.943 1.297 . . . . 0.0 114.384 -170.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -72.94 159.99 32.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.499 1.12 . . . . 0.0 113.799 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.1 m -114.35 10.41 17.09 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.734 1.214 . . . . 0.0 113.523 -172.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -63.61 118.71 8.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.907 1.283 . . . . 0.0 112.426 -176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -164.0 153.53 14.31 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.829 1.652 . . . . 0.0 110.748 -176.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -61.68 -21.38 64.39 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -121.69 4.84 10.04 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.405 1.482 . . . . 0.0 113.812 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 88.5 p -87.71 -2.16 58.43 Favored 'General case' 0 N--CA 1.48 1.027 0 O-C-N 120.642 -1.286 . . . . 0.0 114.173 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 44.4 m -67.85 142.44 56.13 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.916 1.286 . . . . 0.0 113.047 177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -77.01 149.54 35.86 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.028 1.331 . . . . 0.0 113.006 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -153.74 22.89 0.52 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 124.659 1.183 . . . . 0.0 112.322 -177.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -145.42 154.76 42.61 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.253 1.821 . . . . 0.0 110.558 -176.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.2 t -163.83 -163.85 0.84 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.444 1.498 . . . . 0.0 111.255 -174.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.9 t70 74.13 18.45 3.15 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.719 2.408 . . . . 0.0 114.291 172.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -139.48 147.82 41.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.947 1.699 . . . . 0.0 110.897 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -81.15 151.89 28.03 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.721 1.209 . . . . 0.0 111.734 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -154.3 120.34 5.3 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.72 1.208 . . . . 0.0 111.715 -169.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.49 58.45 4.99 Favored Glycine 0 N--CA 1.473 1.131 0 C-N-CA 126.277 1.894 . . . . 0.0 113.955 -171.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -70.73 -18.8 62.79 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -78.54 90.12 4.5 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.932 -1.105 . . . . 0.0 112.181 -171.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 40.5 t -149.51 133.75 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.804 2.042 . . . . 0.0 109.593 -176.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.6 p -162.43 -37.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.883 1.273 . . . . 0.0 112.547 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -142.91 102.59 4.05 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.294 1.438 . . . . 0.0 110.075 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 93.5 p -176.92 -157.6 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.05 2.14 . . . . 0.0 109.531 -172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.36 3.53 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 171.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -56.32 -32.46 64.66 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.04 1.336 . . . . 0.0 112.387 169.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -69.95 -45.87 66.5 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.999 0.92 . . . . 0.0 112.085 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -76.97 -13.68 59.94 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.144 1.165 . . . . 0.0 114.144 178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 tt -89.98 -18.84 25.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.846 1.659 . . . . 0.0 113.58 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.48 34.31 0.05 Allowed 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 127.456 2.302 . . . . 0.0 115.282 -173.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -155.37 1.17 0.17 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 127.302 2.241 . . . . 0.0 113.649 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -85.13 -4.29 59.1 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.98 171.72 4.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 127.699 2.4 . . . . 0.0 110.04 -169.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -140.45 23.24 2.33 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -170.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -131.91 -74.88 0.51 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.422 1.089 . . . . 0.0 110.943 173.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.28 -20.47 22.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.691 1.996 . . . . 0.0 112.858 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -22.89 48.11 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -61.68 -23.03 65.83 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -168.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -26.34 34.78 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.139 1.376 . . . . 0.0 113.675 174.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.41 -21.71 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 126.179 1.792 . . . . 0.0 110.658 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 16.2 m -67.22 -11.05 56.4 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.829 1.252 . . . . 0.0 113.947 170.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -117.04 -52.51 2.52 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.986 1.715 . . . . 0.0 110.464 178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.37 -2.62 0.33 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 128.177 2.591 . . . . 0.0 117.898 168.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -101.73 50.29 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.261 2.224 . . . . 0.0 109.615 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -82.15 -14.67 55.32 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -169.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 26.3 p 67.81 -10.98 0.36 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 128.215 2.606 . . . . 0.0 117.219 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -159.22 -20.78 0.07 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -73.27 -24.73 60.48 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -173.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 42.4 m95 -61.29 -31.26 71.09 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -170.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 68.5 tp -64.84 -51.53 61.57 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.986 0.914 . . . . 0.0 111.13 169.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 31.3 m -65.58 -40.19 92.48 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.795 1.238 . . . . 0.0 112.28 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 3.5 tt -71.22 -31.41 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.662 -0.649 . . . . 0.0 111.727 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.1 t -63.31 -28.68 70.18 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.128 -0.982 . . . . 0.0 112.401 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -69.2 -15.62 63.43 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.546 -0.721 . . . . 0.0 112.634 175.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -95.51 -43.35 8.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.504 1.121 . . . . 0.0 110.725 169.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -68.85 -18.31 64.13 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -170.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -45.94 -34.84 4.19 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.12 1.768 . . . . 0.0 113.073 168.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 93.9 mt -113.44 -17.16 12.31 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.893 1.677 . . . . 0.0 113.975 -177.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 59.4 mt -83.61 -57.73 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 124.404 1.082 . . . . 0.0 110.794 177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 19.1 t -156.5 120.3 4.34 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -66.24 -18.59 65.44 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.347 0.659 . . . . 0.0 112.651 172.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.49 -34.99 78.98 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.835 1.198 . . . . 0.0 111.939 174.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -71.01 -42.31 69.76 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.703 0.683 . . . . 0.0 110.715 177.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 22.0 t -56.25 -42.02 72.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 C-N-CA 123.572 0.749 . . . . 0.0 110.505 171.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -70.91 -28.76 64.75 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.13 -39.22 82.76 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.23 0.923 . . . . 0.0 112.285 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -84.83 -33.35 22.92 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -98.49 -27.07 14.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.013 0.824 . . . . 0.0 113.025 -174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 58.93 38.38 24.4 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.987 1.715 . . . . 0.0 112.506 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -78.28 63.88 3.28 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.489 1.516 . . . . 0.0 112.273 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 61.7 m95 -90.31 -7.42 53.39 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.284 1.434 . . . . 0.0 114.245 -176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 83.2 17.66 66.48 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 124.929 1.252 . . . . 0.0 114.3 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.367 1.867 . . . . 0.0 112.567 -173.486 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 111.246 0.091 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -81.89 158.35 24.01 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.114 0.966 . . . . 0.0 111.607 178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.4 p -160.6 166.84 28.25 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.097 1.359 . . . . 0.0 112.05 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -158.31 164.63 36.21 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.018 1.727 . . . . 0.0 111.334 -174.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -157.32 170.16 23.09 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.911 1.685 . . . . 0.0 112.145 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -156.25 146.8 21.73 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.775 1.63 . . . . 0.0 111.011 -176.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -161.82 158.88 26.24 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.195 1.398 . . . . 0.0 111.439 -174.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -112.65 141.01 46.94 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.226 1.41 . . . . 0.0 110.51 173.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 76.0 p -161.09 163.16 31.63 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.55 1.54 . . . . 0.0 111.868 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -161.2 155.09 22.3 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.549 1.54 . . . . 0.0 112.192 -171.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -77.17 127.45 32.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.631 1.172 . . . . 0.0 111.828 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -164.68 170.79 15.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.505 1.522 . . . . 0.0 111.495 -175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.4 151.38 44.9 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.66 1.584 . . . . 0.0 111.797 -172.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -71.1 152.26 43.66 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.696 1.198 . . . . 0.0 112.443 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -101.31 -1.54 33.3 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.166 1.387 . . . . 0.0 114.198 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -68.78 128.69 37.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.775 1.23 . . . . 0.0 111.192 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.4 t -165.26 162.83 20.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.707 1.603 . . . . 0.0 110.74 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -147.25 139.04 24.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.913 1.685 . . . . 0.0 110.216 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.3 t -150.03 -8.92 0.29 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.407 1.083 . . . . 0.0 113.901 -177.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -81.87 -3.85 55.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.012 1.725 . . . . 0.0 113.876 -172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.3 m -69.73 136.76 51.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.109 1.364 . . . . 0.0 113.363 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -144.59 150.59 37.71 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.028 1.731 . . . . 0.0 110.127 177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.39 156.36 32.13 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.316 1.446 . . . . 0.0 111.769 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -161.71 168.84 22.59 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 126.222 1.809 . . . . 0.0 110.907 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.9 m -140.95 150.76 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.677 1.991 . . . . 0.0 111.013 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -134.4 8.71 3.68 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.24 1.416 . . . . 0.0 114.125 -170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 29.2 p -89.21 151.69 22.01 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.211 1.404 . . . . 0.0 113.16 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -163.07 160.37 24.34 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.889 1.676 . . . . 0.0 112.138 -175.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -160.32 142.2 12.72 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.926 1.69 . . . . 0.0 111.22 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 22.4 m -146.2 6.29 0.99 Allowed 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -171.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -157.65 123.06 4.54 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.83 -1.169 . . . . 0.0 111.825 -175.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.95 -6.52 57.2 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.04 126.45 92.67 Favored Pre-proline 0 CA--C 1.552 1.024 0 O-C-N 121.129 -0.982 . . . . 0.0 111.336 178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -78.65 -38.79 0.46 Allowed 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 122.694 2.263 . . . . 0.0 112.163 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -174.99 -22.62 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.834 2.053 . . . . 0.0 113.987 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.75 87.21 1.81 Allowed Glycine 0 CA--C 1.539 1.583 0 C-N-CA 125.326 1.441 . . . . 0.0 111.203 -176.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 -28.32 1.63 Allowed 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.467 2.778 . . . . 0.0 114.284 -171.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -163.51 151.15 12.91 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.106 1.362 . . . . 0.0 111.867 -170.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.9 m0 -126.88 134.89 50.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.645 1.578 . . . . 0.0 111.382 -178.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -69.22 146.23 52.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.401 1.08 . . . . 0.0 112.725 -175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -92.61 170.53 9.66 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.021 1.328 . . . . 0.0 112.431 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.71 8.9 2.39 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 -172.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m 64.09 -155.58 0.31 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.384 1.474 . . . . 0.0 113.21 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -158.5 167.55 29.32 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.239 1.815 . . . . 0.0 110.932 -176.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -137.73 155.32 49.2 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.03 1.332 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -79.04 85.46 4.96 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.545 1.138 . . . . 0.0 111.633 -175.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -61.87 -13.4 24.16 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -175.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -71.85 -8.45 54.41 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.253 1.421 . . . . 0.0 113.911 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 103.02 37.26 3.19 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.799 1.19 . . . . 0.0 113.576 -178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 98.25 -156.73 20.42 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.651 1.12 . . . . 0.0 113.564 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -82.68 167.79 46.84 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.601 1.096 . . . . 0.0 113.926 -177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 73.7 m -148.19 157.02 43.25 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.007 1.723 . . . . 0.0 110.885 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.02 151.48 19.74 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.435 1.094 . . . . 0.0 112.873 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -146.21 140.62 26.71 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.605 1.962 . . . . 0.0 110.235 176.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -143.98 139.19 28.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.916 1.286 . . . . 0.0 111.405 -176.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.4 tp -91.29 -19.52 22.89 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.707 1.203 . . . . 0.0 113.081 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 tttp 74.22 146.61 0.09 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 128.264 2.626 . . . . 0.0 112.847 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 15.4 m -68.66 -14.63 63.14 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.9 m -132.39 131.34 41.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.249 1.82 . . . . 0.0 108.532 170.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -155.63 137.53 14.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.583 1.153 . . . . 0.0 110.566 -169.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -140.03 141.89 36.25 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.055 1.342 . . . . 0.0 111.859 -172.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -73.76 145.08 45.36 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.608 1.163 . . . . 0.0 112.781 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.1 p -126.68 5.91 6.76 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.27 1.428 . . . . 0.0 113.655 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.2 m -70.75 147.99 48.41 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.08 1.352 . . . . 0.0 113.389 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -76.67 114.3 15.26 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.161 0.984 . . . . 0.0 111.327 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -67.8 -15.66 63.73 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.531 1.132 . . . . 0.0 113.208 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -91.29 10.43 27.35 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.881 1.672 . . . . 0.0 112.481 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -141.05 177.98 7.69 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.538 1.535 . . . . 0.0 112.185 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -155.74 132.83 10.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.272 1.829 . . . . 0.0 110.128 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -85.29 -10.28 56.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.791 1.236 . . . . 0.0 112.827 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -110.07 164.54 12.53 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.399 1.88 . . . . 0.0 111.532 -177.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.51 13.67 0.74 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.592 1.557 . . . . 0.0 114.436 -175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.72 155.37 25.26 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.511 1.529 . . . . 0.0 112.961 -174.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.95 -12.9 6.97 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.826 1.25 . . . . 0.0 114.361 -175.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -143.19 144.54 32.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.856 1.662 . . . . 0.0 111.26 -177.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.3 m -137.73 5.8 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 115.251 1.574 . . . . 0.0 115.251 -171.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.1 p -167.68 155.56 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.904 1.682 . . . . 0.0 109.95 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt 54.93 54.57 8.84 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.106 1.763 . . . . 0.0 111.912 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.1 t -151.26 -173.33 4.47 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.538 1.135 . . . . 0.0 112.999 -169.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.5 -18.68 42.13 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.817 -1.177 . . . . 0.0 112.643 171.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -61.49 -27.61 68.71 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.199 1.0 . . . . 0.0 112.857 171.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.7 -14.7 63.19 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 121.054 1.752 . . . . 0.0 114.025 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -107.66 9.42 29.24 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.739 1.216 . . . . 0.0 113.832 172.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.03 -16.72 19.5 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.844 1.658 . . . . 0.0 112.853 -172.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.58 33.91 0.07 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 126.626 1.97 . . . . 0.0 114.346 -176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.28 -4.63 0.46 Allowed 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.022 1.329 . . . . 0.0 114.497 -173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -86.08 -7.37 58.66 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.855 1.057 . . . . 0.0 113.855 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.29 173.63 3.52 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 127.652 2.381 . . . . 0.0 110.315 -170.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -130.4 -0.06 4.51 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.284 1.034 . . . . 0.0 113.665 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -113.23 -66.02 1.13 Allowed 'General case' 0 N--CA 1.478 0.93 0 O-C-N 120.798 -1.189 . . . . 0.0 112.729 -173.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.31 -17.95 22.83 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 125.004 1.322 . . . . 0.0 112.006 175.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.08 -17.08 58.97 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.63 -23.77 67.25 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -168.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -26.1 41.42 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.557 1.143 . . . . 0.0 113.543 172.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 40.8 mt -72.61 -22.1 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.388 1.475 . . . . 0.0 110.905 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -67.67 -3.14 8.21 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.73 1.612 . . . . 0.0 114.438 171.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -135.07 -38.53 0.78 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.528 1.531 . . . . 0.0 111.957 173.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 60.0 11.96 2.91 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.387 2.275 . . . . 0.0 116.459 168.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.43 -8.06 51.52 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.717 1.144 . . . . 0.0 112.964 -175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -75.86 75.91 2.79 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.666 0.787 . . . . 0.0 112.061 175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 40.4 m -61.95 -17.65 57.61 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.798 1.239 . . . . 0.0 113.498 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -75.58 -18.91 59.6 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.018 1.727 . . . . 0.0 113.489 171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -101.54 -25.39 13.92 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.882 1.673 . . . . 0.0 113.058 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -59.53 -26.23 65.17 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 -176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 60.6 tp -71.01 -55.04 9.14 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.272 0.942 . . . . 0.0 110.822 169.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.8 m -60.58 -40.69 92.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.426 1.49 . . . . 0.0 111.942 -175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.4 tt -68.27 -33.06 58.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.636 0.774 . . . . 0.0 111.979 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 6.3 t -62.79 -28.17 69.8 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 121.375 -0.828 . . . . 0.0 111.974 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -73.27 -15.05 61.42 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.522 -0.736 . . . . 0.0 112.881 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -95.62 -43.2 8.03 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.154 1.382 . . . . 0.0 110.668 172.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -66.95 -14.72 63.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 113.454 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -48.25 -31.76 6.3 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.143 2.177 . . . . 0.0 112.31 165.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 95.6 mt -115.67 -44.52 2.95 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.469 1.908 . . . . 0.0 112.5 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 92.8 mt -66.87 -59.52 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 C-N-CA 124.354 1.062 . . . . 0.0 112.196 -171.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.7 t -152.01 108.56 3.46 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-O 122.065 0.936 . . . . 0.0 112.446 -177.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -66.43 -26.81 67.39 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.765 -0.585 . . . . 0.0 112.177 -172.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 2.1 pp -71.9 -19.12 61.98 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.108 -0.995 . . . . 0.0 113.645 -177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.68 -44.32 90.7 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.941 0.791 . . . . 0.0 109.773 168.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.98 -36.26 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.625 0.77 . . . . 0.0 110.689 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -63.37 -37.31 86.76 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 119.291 -0.385 . . . . 0.0 111.737 172.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -67.54 -33.29 74.75 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -84.06 -11.47 56.65 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -103.46 -39.21 6.85 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.684 1.194 . . . . 0.0 112.462 175.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 58.77 59.89 2.7 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.834 2.054 . . . . 0.0 112.338 -173.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.93 36.25 0.22 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.605 1.562 . . . . 0.0 113.378 -177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -74.59 -16.61 60.79 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.513 -1.367 . . . . 0.0 114.632 -169.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 78.57 10.15 86.44 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.744 1.164 . . . . 0.0 114.324 -179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 19.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.562 1.945 . . . . 0.0 113.486 -178.248 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.339 0.126 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -75.64 151.16 37.82 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.995 0.918 . . . . 0.0 111.5 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 t -160.62 156.59 25.84 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.118 1.367 . . . . 0.0 111.283 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -149.37 159.85 43.93 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.473 1.909 . . . . 0.0 110.795 -173.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.2 tp -149.66 132.06 15.64 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.318 1.447 . . . . 0.0 110.284 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -162.92 156.02 19.47 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.288 1.835 . . . . 0.0 110.751 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -157.8 132.57 8.53 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.954 1.302 . . . . 0.0 110.229 -176.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -82.68 123.89 29.7 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.952 0.901 . . . . 0.0 109.612 171.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 m -166.74 172.9 10.06 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.317 1.847 . . . . 0.0 111.153 -172.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -146.24 144.72 30.05 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.591 1.556 . . . . 0.0 111.325 -177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -161.04 164.41 30.89 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.166 1.786 . . . . 0.0 111.132 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.0 t -154.71 161.67 41.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.705 1.202 . . . . 0.0 112.506 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.88 16.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.308 1.843 . . . . 0.0 112.517 -173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -151.43 158.13 43.29 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.766 1.626 . . . . 0.0 111.646 -172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -162.55 159.29 24.58 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.242 1.417 . . . . 0.0 111.653 -174.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -140.37 137.48 34.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.956 1.702 . . . . 0.0 109.726 177.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -80.32 -10.75 59.76 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 61.65 25.84 15.64 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.197 1.799 . . . . 0.0 113.246 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -61.81 140.45 58.24 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.445 1.498 . . . . 0.0 113.863 -173.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -153.84 51.09 0.68 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.288 1.435 . . . . 0.0 109.808 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.77 4.86 15.08 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.09 1.356 . . . . 0.0 114.462 -170.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.97 149.65 18.09 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.42 1.888 . . . . 0.0 109.523 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.82 1.36 54.13 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 125.202 1.401 . . . . 0.0 114.247 -177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 73.15 58.95 0.1 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.37 2.668 . . . . 0.0 111.342 -175.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.1 t -131.74 135.84 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 126.165 1.786 . . . . 0.0 110.093 -173.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -155.53 172.82 17.62 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.725 1.61 . . . . 0.0 112.498 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.0 m -122.9 19.87 10.08 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.121 1.368 . . . . 0.0 113.077 -175.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -116.05 -31.29 5.76 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.425 1.49 . . . . 0.0 113.065 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . 0.286 2.7 p30 48.05 -98.43 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 128.163 2.585 . . . . 0.0 115.043 171.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 50.4 m -132.23 19.23 4.44 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.185 1.794 . . . . 0.0 112.84 -174.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -60.01 134.46 57.07 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.615 1.166 . . . . 0.0 112.834 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 170.84 19.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.779 1.632 . . . . 0.0 111.942 -173.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -52.85 117.1 10.32 Favored Pre-proline 0 CA--C 1.557 1.231 0 C-N-CA 125.419 1.488 . . . . 0.0 112.581 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -66.31 -27.18 48.07 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.144 2.562 . . . . 0.0 114.436 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -90.14 -6.63 55.17 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 115.185 1.55 . . . . 0.0 115.185 -168.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.38 -159.32 53.58 Favored Glycine 0 CA--C 1.541 1.701 0 C-N-CA 124.505 1.05 . . . . 0.0 114.431 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.59 171.89 17.36 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 124.656 3.571 . . . . 0.0 111.877 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -152.92 144.01 23.07 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.128 1.371 . . . . 0.0 111.575 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -162.58 159.09 24.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.106 1.762 . . . . 0.0 111.675 -174.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -76.81 -31.57 57.04 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.474 0.71 . . . . 0.0 112.439 176.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -170.43 159.39 6.96 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.329 2.251 . . . . 0.0 111.584 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -157.72 132.16 8.37 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 110.942 176.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.7 t -165.11 170.72 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.385 1.474 . . . . 0.0 111.178 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -163.64 146.67 9.98 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.301 1.84 . . . . 0.0 110.219 -175.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -67.51 148.27 51.7 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.235 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -136.44 155.66 49.69 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.297 1.439 . . . . 0.0 112.028 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.99 164.1 24.65 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.73 1.212 . . . . 0.0 113.714 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -150.21 35.94 0.66 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.546 1.938 . . . . 0.0 110.426 -174.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.48 53.27 1.72 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 108.434 -1.866 . . . . 0.0 108.434 -166.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.44 -171.62 35.23 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.589 1.566 . . . . 0.0 111.817 -167.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 103.85 169.07 25.29 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 125.238 1.399 . . . . 0.0 114.389 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.1 p -173.66 170.1 4.11 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 126.807 2.043 . . . . 0.0 110.782 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -155.25 112.64 3.33 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.155 0.982 . . . . 0.0 111.487 174.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -168.47 176.27 5.86 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.918 2.087 . . . . 0.0 111.948 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -61.91 143.78 55.94 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.435 1.094 . . . . 0.0 111.373 171.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 39.8 tp -66.71 -22.43 66.06 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.476 1.111 . . . . 0.0 113.418 -176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -146.03 140.79 27.07 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.883 1.673 . . . . 0.0 110.271 172.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.0 p -160.55 125.25 3.73 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.428 1.091 . . . . 0.0 110.731 -172.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.4 p -170.96 168.39 7.03 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.884 1.274 . . . . 0.0 111.88 -169.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -85.67 -6.78 59.1 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.256 1.022 . . . . 0.0 113.493 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -161.79 141.62 10.18 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.643 1.977 . . . . 0.0 110.869 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -65.96 153.57 41.75 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -172.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.8 t -162.79 157.77 21.93 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.116 1.767 . . . . 0.0 110.743 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 24.3 m -167.49 163.76 14.85 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.201 2.2 . . . . 0.0 110.725 -175.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -155.94 130.77 9.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.28 1.432 . . . . 0.0 110.863 -177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.59 154.89 44.67 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.554 1.942 . . . . 0.0 112.321 -173.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.37 -11.75 55.73 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.76 1.224 . . . . 0.0 113.499 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.9 m -168.41 137.31 2.31 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.228 2.211 . . . . 0.0 110.048 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -97.34 -26.62 14.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.755 1.222 . . . . 0.0 113.845 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 54.87 -109.49 0.5 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.954 1.701 . . . . 0.0 112.352 175.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -157.61 149.66 22.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.19 2.196 . . . . 0.0 109.298 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -70.39 -30.9 67.92 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.592 1.557 . . . . 0.0 114.698 -174.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.57 98.14 0.58 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.603 1.097 . . . . 0.0 110.471 -170.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -88.93 -4.02 58.57 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -169.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -139.16 132.4 29.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.402 1.481 . . . . 0.0 111.417 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.64 142.94 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 124.809 1.244 . . . . 0.0 111.398 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.73 143.45 36.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 126.471 1.908 . . . . 0.0 109.421 -178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -45.49 105.54 0.06 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.188 2.195 . . . . 0.0 113.342 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 96.5 p -153.0 -118.13 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.784 1.633 . . . . 0.0 110.375 176.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.36 -20.39 62.94 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.742 1.155 . . . . 0.0 113.858 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -54.52 -39.72 67.9 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.743 1.217 . . . . 0.0 111.342 168.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -71.57 -43.19 66.78 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.015 0.926 . . . . 0.0 112.016 -170.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -75.04 -18.53 60.31 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.5 tt -86.69 -24.95 25.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.164 1.385 . . . . 0.0 113.064 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.2 mt -73.69 63.79 0.88 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.87 1.268 . . . . 0.0 112.641 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -171.98 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.614 2.765 . . . . 0.0 113.36 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -75.07 -10.4 59.43 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 -169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.35 176.91 4.93 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 127.383 2.273 . . . . 0.0 109.727 -169.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.429 ' HA ' ' CD1' ' A' ' 127' ' ' TYR . 25.4 tt0 -133.62 -3.01 2.98 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.379 1.072 . . . . 0.0 113.663 -173.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -121.28 -64.13 1.26 Allowed 'General case' 0 N--CA 1.479 0.988 0 O-C-N 120.947 -1.096 . . . . 0.0 112.543 -170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 p -66.76 -12.56 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 C-N-CA 123.787 0.835 . . . . 0.0 111.895 169.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 124' ' ' GLN . 0.0 OUTLIER -86.55 -22.03 26.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.44 1.896 . . . . 0.0 113.203 176.586 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.4 -27.56 69.39 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.221 1.008 . . . . 0.0 113.576 -168.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.44 -30.71 29.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.75 1.62 . . . . 0.0 112.791 174.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.0 mt -67.52 -27.32 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 125.206 1.403 . . . . 0.0 109.616 178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 15.5 m -64.21 -4.28 3.53 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.411 1.485 . . . . 0.0 114.8 171.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -129.86 -50.36 1.14 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.275 1.43 . . . . 0.0 110.918 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 67.55 3.9 3.58 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.185 2.194 . . . . 0.0 116.182 170.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.79 -5.24 47.39 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 111.978 174.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -81.94 73.32 8.99 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.451 1.5 . . . . 0.0 111.183 -170.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.5 m -57.85 156.06 9.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.334 1.453 . . . . 0.0 112.842 173.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 22.9 t70 71.02 -43.22 0.56 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.945 2.898 . . . . 0.0 112.944 -174.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.62 -26.52 68.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 169.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -57.92 -24.7 58.98 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.0 tp -78.28 -49.05 14.39 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.83 1.196 . . . . 0.0 110.706 169.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 28.3 m -59.94 -39.35 85.26 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.87 1.268 . . . . 0.0 112.212 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 2.7 tt -72.41 -31.96 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.665 0.786 . . . . 0.0 111.957 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.8 m -70.47 -19.98 62.91 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.962 -1.087 . . . . 0.0 113.061 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -70.16 -17.42 63.17 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 173.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -109.84 -26.35 9.85 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.37 -19.09 64.61 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 120.782 -1.199 . . . . 0.0 113.749 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -47.96 -36.73 13.03 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.606 1.562 . . . . 0.0 112.117 168.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 87.4 mt -102.68 -33.52 9.4 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 126.188 1.795 . . . . 0.0 112.723 -178.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 46.9 mt -70.17 -58.04 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 119.108 0.867 . . . . 0.0 111.172 178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 12.2 t -160.54 121.1 2.89 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -17.52 64.89 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.826 0.85 . . . . 0.0 112.495 170.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.01 -34.55 76.39 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.037 1.289 . . . . 0.0 111.772 173.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -68.38 -41.08 81.08 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.788 -0.57 . . . . 0.0 111.155 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 21.6 t -59.22 -40.81 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 0.0 110.416 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.01 -31.05 68.53 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.696 -0.628 . . . . 0.0 112.593 176.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.58 -23.23 60.93 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.014 0.925 . . . . 0.0 113.283 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -93.27 -34.75 13.42 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 173.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -76.83 -41.3 44.78 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.322 0.964 . . . . 0.0 111.827 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 61.61 25.11 15.09 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.792 1.637 . . . . 0.0 114.388 167.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -79.94 57.91 2.75 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.049 1.34 . . . . 0.0 112.156 -178.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -80.95 -12.24 59.43 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.334 1.454 . . . . 0.0 114.402 -173.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . . . . . . . . . . . 76.13 9.24 85.53 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.717 1.151 . . . . 0.0 114.518 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.457 1.903 . . . . 0.0 113.476 -177.17 . . . . . . . . 0 0 . 1 stop_ save_