data_2l3l_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 2l3l _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 CA--C 1.542 0.673 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 120.382 0.134 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 121.833 0.825 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 119.906 -0.092 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.9 -29.38 6.92 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.986 2.457 . . . . 0.0 113.382 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 55.04 23.57 5.28 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.329 2.252 . . . . 0.0 114.814 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -84.07 169.68 14.66 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.361 1.864 . . . . 0.0 113.216 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -83.89 90.8 7.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.38 1.872 . . . . 0.0 111.596 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -74.69 80.85 2.04 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.297 1.039 . . . . 0.0 111.536 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -93.35 -14.9 26.31 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.818 1.247 . . . . 0.0 113.639 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.453 1.501 . . . . 0.0 113.355 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -58.18 -33.22 69.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.819 0.847 . . . . 0.0 113.158 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.82 -30.16 70.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.419 1.087 . . . . 0.0 112.87 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -63.13 -43.21 99.03 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.091 -1.006 . . . . 0.0 110.05 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -29.54 58.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.681 1.192 . . . . 0.0 111.933 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -56.0 -18.23 8.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.211 1.404 . . . . 0.0 113.816 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.78 -23.19 63.08 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 112.102 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.17 -25.22 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.448 1.099 . . . . 0.0 112.442 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -61.8 -28.65 69.61 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.272 -0.892 . . . . 0.0 112.364 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -69.26 -39.31 78.51 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 111.355 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.52 -31.6 72.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.08 0.952 . . . . 0.0 112.224 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -59.28 -27.19 65.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.59 -20.37 58.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -175.36 5.41 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.361 1.464 . . . . 0.0 110.498 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -57.67 166.75 1.26 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.824 1.65 . . . . 0.0 111.79 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -55.39 146.87 18.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.607 1.163 . . . . 0.0 112.187 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -62.62 -7.59 5.02 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -58.73 -25.1 62.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.968 1.307 . . . . 0.0 114.391 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.73 -18.93 56.02 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.889 1.675 . . . . 0.0 113.452 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.75 -25.51 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.985 -1.072 . . . . 0.0 110.795 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -61.93 -27.2 68.66 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.204 -0.935 . . . . 0.0 113.179 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.64 -16.18 46.27 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.666 1.586 . . . . 0.0 113.513 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.2 55.89 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.539 -0.725 . . . . 0.0 112.304 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -76.47 -19.85 57.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.471 1.108 . . . . 0.0 112.677 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -49.5 61.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -55.39 -28.44 54.05 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.07 -15.87 40.35 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.2 1.381 . . . . 0.0 114.214 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 60.3 mt -90.03 -69.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.815 1.646 . . . . 0.0 111.633 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.53 157.28 47.85 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.431 1.092 . . . . 0.0 112.378 175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.05 156.43 65.87 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.835 2.357 . . . . 0.0 111.933 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -105.93 161.54 14.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.659 1.584 . . . . 0.0 111.965 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.253 1.269 0 C-N-CA 124.756 1.223 . . . . 0.0 110.72 175.004 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.553 -0.26 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.86 171.5 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.256 2.638 . . . . 0.0 112.371 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.35 152.75 22.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.24 1.016 . . . . 0.0 112.695 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -93.06 -34.54 13.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.638 1.175 . . . . 0.0 112.165 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.82 85.51 2.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.084 1.754 . . . . 0.0 111.399 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -119.2 172.39 7.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.495 1.518 . . . . 0.0 111.321 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 55.03 31.6 16.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.159 1.783 . . . . 0.0 114.102 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -30.97 22.54 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.649 1.58 . . . . 0.0 114.292 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -73.4 -36.55 66.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.379 1.472 . . . . 0.0 112.117 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.6 -27.57 69.33 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.734 1.213 . . . . 0.0 111.59 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.53 -24.8 65.65 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.285 -0.885 . . . . 0.0 111.587 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -67.03 -24.35 65.99 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.323 1.049 . . . . 0.0 113.037 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -70.54 -33.56 71.28 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.342 1.057 . . . . 0.0 111.308 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -25.25 66.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -56.29 -28.98 60.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.226 1.41 . . . . 0.0 113.163 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.82 -56.26 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.781 0.832 . . . . 0.0 109.734 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.46 -20.11 65.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.052 0.941 . . . . 0.0 113.412 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -56.0 -37.74 69.55 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.766 1.627 . . . . 0.0 110.608 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -66.08 -20.53 66.2 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.892 1.677 . . . . 0.0 114.306 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -83.33 -31.19 26.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.718 1.207 . . . . 0.0 112.428 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.58 1.47 25.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.676 1.99 . . . . 0.0 113.775 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 141.08 31.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.205 1.402 . . . . 0.0 110.934 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.67 175.75 5.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.577 0.703 . . . . 0.0 110.571 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -57.14 172.09 0.32 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.711 1.204 . . . . 0.0 111.726 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -56.69 -12.64 1.95 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.24 -19.74 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.42 -12.3 57.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.886 . . . . 0.0 112.889 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.53 -19.91 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.161 0.984 . . . . 0.0 111.266 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.99 -25.29 63.5 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.869 -1.144 . . . . 0.0 112.704 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -69.54 -17.94 63.62 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.258 1.823 . . . . 0.0 113.94 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.56 -17.91 60.96 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 112.522 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.86 -21.0 56.15 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.326 -0.859 . . . . 0.0 111.884 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.1 -34.21 55.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -23.18 10.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.293 1.837 . . . . 0.0 114.954 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.01 -29.14 4.71 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.469 1.509 . . . . 0.0 113.433 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.48 -66.71 0.85 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 112.286 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -118.94 73.49 12.32 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.14 2.176 . . . . 0.0 109.242 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.96 155.17 65.86 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.619 2.213 . . . . 0.0 111.38 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.13 132.32 51.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.774 0.83 . . . . 0.0 110.225 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.001 1.72 . . . . 0.0 111.693 -177.614 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.36 -16.62 19.33 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.75 2.3 . . . . 0.0 114.133 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.49 -31.69 72.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.797 1.239 . . . . 0.0 112.985 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -111.73 161.79 15.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.046 1.738 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.61 7.28 39.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.769 1.628 . . . . 0.0 113.644 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -68.47 153.55 43.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.651 1.18 . . . . 0.0 112.766 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -98.35 -4.68 34.37 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.269 1.428 . . . . 0.0 113.744 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -56.41 -23.65 39.72 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.129 1.771 . . . . 0.0 113.524 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -55.84 -29.0 59.15 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.693 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -61.91 -32.04 72.39 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.417 -0.802 . . . . 0.0 112.591 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.18 -26.81 61.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.135 -0.978 . . . . 0.0 112.5 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -62.41 -18.24 61.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.2 1.0 . . . . 0.0 113.413 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -54.41 -42.89 70.99 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.034 1.333 . . . . 0.0 111.468 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.22 -16.21 47.39 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.806 0.842 . . . . 0.0 113.224 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.69 -20.28 53.92 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.324 -0.86 . . . . 0.0 112.041 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -52.3 -48.72 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.229 1.377 . . . . 0.0 112.062 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -66.11 -23.01 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -78.7 -47.49 16.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.015 2.126 . . . . 0.0 110.945 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -54.81 -31.3 58.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.039 1.736 . . . . 0.0 112.877 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.16 -27.23 65.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.756 1.622 . . . . 0.0 113.502 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.83 -18.0 13.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.912 2.085 . . . . 0.0 114.117 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -179.95 1.42 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.076 2.15 . . . . 0.0 111.498 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -63.96 171.71 2.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.165 1.386 . . . . 0.0 111.612 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 71.17 78.04 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.7 2.0 . . . . 0.0 112.037 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.49 -3.35 4.29 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -21.99 64.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.853 1.261 . . . . 0.0 114.112 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.07 -17.3 53.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.182 1.393 . . . . 0.0 113.765 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.74 -19.0 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.24 1.416 . . . . 0.0 111.695 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -58.13 -26.46 62.69 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.876 -1.14 . . . . 0.0 113.313 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.23 -18.31 57.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.467 1.507 . . . . 0.0 113.862 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -70.69 -9.68 57.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.703 0.801 . . . . 0.0 112.677 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.81 -22.35 35.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.487 1.04 . . . . 0.0 112.376 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.8 -36.09 62.09 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.65 -25.33 38.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.904 2.482 . . . . 0.0 113.89 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -102.63 -8.54 42.84 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.474 1.511 . . . . 0.0 114.781 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 75.7 mt -99.62 -73.83 0.62 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.129 1.772 . . . . 0.0 111.232 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.05 161.54 52.25 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.412 1.085 . . . . 0.0 112.451 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -69.26 153.68 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.614 2.209 . . . . 0.0 111.059 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -131.95 106.21 7.91 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.207 1.403 . . . . 0.0 110.976 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 C--O 1.256 1.403 0 C-N-CA 126.484 1.914 . . . . 0.0 112.501 176.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.76 166.67 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.458 2.772 . . . . 0.0 112.71 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.06 148.99 34.03 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.82 0.848 . . . . 0.0 112.444 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -122.45 -29.41 4.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.471 1.909 . . . . 0.0 113.803 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.61 78.76 4.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.722 1.609 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -93.15 171.22 9.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.344 1.058 . . . . 0.0 110.896 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -91.95 171.65 8.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.89 1.676 . . . . 0.0 111.735 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -11.74 59.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.778 1.231 . . . . 0.0 112.624 175.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -55.7 -30.4 61.05 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.197 -0.939 . . . . 0.0 113.351 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -54.99 -47.32 74.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.562 1.545 . . . . 0.0 112.765 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -78.33 -37.68 43.95 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.8 -0.563 . . . . 0.0 110.561 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.8 -29.87 65.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.736 1.214 . . . . 0.0 113.423 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.58 -47.78 80.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.253 1.421 . . . . 0.0 111.98 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.77 -24.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.419 1.088 . . . . 0.0 113.838 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.93 -23.32 61.27 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.013 1.725 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -60.63 -28.58 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 120.605 -1.31 . . . . 0.0 112.212 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.85 -26.34 68.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.61 1.164 . . . . 0.0 112.694 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -71.01 -54.44 11.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.293 1.437 . . . . 0.0 110.682 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -53.44 -29.8 37.32 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.631 1.572 . . . . 0.0 113.135 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -54.22 -21.85 10.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.683 1.193 . . . . 0.0 113.697 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -112.52 -77.44 0.58 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.612 1.965 . . . . 0.0 111.868 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 157.85 37.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.201 1.8 . . . . 0.0 112.836 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -78.24 127.79 32.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.593 1.157 . . . . 0.0 111.905 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -114.37 167.69 10.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.467 1.507 . . . . 0.0 111.778 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.58 -5.34 28.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.103 1.361 . . . . 0.0 113.888 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.33 -19.14 61.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.925 -1.11 . . . . 0.0 113.684 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.86 -22.7 62.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.117 1.367 . . . . 0.0 112.972 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.59 -18.53 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.661 1.584 . . . . 0.0 111.788 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.02 -25.54 65.38 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.538 -1.351 . . . . 0.0 112.777 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -18.26 63.65 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.698 1.599 . . . . 0.0 114.076 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.97 -22.06 46.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.125 1.37 . . . . 0.0 112.907 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -64.0 -18.27 64.14 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.098 -1.001 . . . . 0.0 112.71 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -53.23 -33.44 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -54.15 -27.56 34.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.022 1.729 . . . . 0.0 114.411 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -98.87 -11.65 45.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.873 1.225 . . . . 0.0 114.637 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.4 mt -111.29 -75.22 0.62 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.065 1.746 . . . . 0.0 112.031 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.41 163.02 66.51 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.615 1.166 . . . . 0.0 112.678 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.02 176.32 9.25 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.271 2.648 . . . . 0.0 112.637 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -116.33 96.85 5.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.479 1.912 . . . . 0.0 110.456 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.695 1.598 . . . . 0.0 113.298 176.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 146.65 48.34 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.356 2.037 . . . . 0.0 111.7 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.0 166.29 24.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.472 1.509 . . . . 0.0 112.143 176.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 113.86 21.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.378 1.071 . . . . 0.0 110.783 175.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.76 -50.84 4.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.51 1.524 . . . . 0.0 111.819 175.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -69.83 -21.1 63.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -98.69 3.38 47.71 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.43 1.492 . . . . 0.0 113.565 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.36 -35.77 81.48 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.172 -0.955 . . . . 0.0 113.305 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.19 -39.58 48.28 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -33.48 66.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.532 -0.73 . . . . 0.0 112.675 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.26 -33.21 72.89 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.268 -0.895 . . . . 0.0 112.082 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.76 -23.44 67.37 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.135 0.974 . . . . 0.0 112.62 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.15 -34.65 78.55 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 112.052 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.27 -18.66 60.69 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.64 -40.49 92.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 111.046 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 t -66.6 -30.55 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.291 1.036 . . . . 0.0 112.079 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.64 -28.94 70.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.928 -1.107 . . . . 0.0 112.524 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -38.78 89.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.379 1.072 . . . . 0.0 112.286 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -58.06 -29.99 65.84 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.822 1.249 . . . . 0.0 112.902 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -64.51 -32.73 74.48 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.977 0.911 . . . . 0.0 112.429 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -84.6 -20.34 31.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.642 1.177 . . . . 0.0 113.923 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -67.16 154.22 41.79 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.757 1.223 . . . . 0.0 112.442 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -81.35 80.07 7.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.339 1.855 . . . . 0.0 111.794 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.02 163.83 32.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.618 1.567 . . . . 0.0 111.493 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.26 -2.72 57.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.073 0.949 . . . . 0.0 112.836 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.46 -21.17 65.24 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.854 1.262 . . . . 0.0 114.145 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.15 -22.36 58.18 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.19 -26.1 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.754 1.222 . . . . 0.0 111.212 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.9 -25.64 62.0 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.28 1.032 . . . . 0.0 113.191 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -79.25 -26.75 42.39 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.41 -28.29 67.79 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.604 1.162 . . . . 0.0 112.583 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -59.23 -21.62 59.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.433 1.093 . . . . 0.0 112.964 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -53.71 -40.45 66.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -51.58 -29.89 18.88 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.316 1.446 . . . . 0.0 114.29 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.86 -29.51 6.86 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.657 1.123 . . . . 0.0 113.888 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.3 mt -80.41 -61.38 1.99 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.088 1.355 . . . . 0.0 113.143 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.26 77.05 5.23 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.753 2.021 . . . . 0.0 110.066 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.66 167.83 24.47 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.787 2.325 . . . . 0.0 111.316 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -73.91 159.07 33.31 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.237 1.015 . . . . 0.0 111.123 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.907 2.483 . . . . 0.0 113.189 177.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mtt . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.74 166.04 28.89 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.474 2.783 . . . . 0.0 112.46 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.29 136.54 35.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.785 0.834 . . . . 0.0 111.527 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -124.17 160.25 28.28 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.411 1.884 . . . . 0.0 110.71 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 6.89 31.3 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.193 1.797 . . . . 0.0 113.877 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -60.47 -28.47 68.36 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.79 1.636 . . . . 0.0 113.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -79.53 18.57 0.72 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.686 2.394 . . . . 0.0 115.418 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -53.36 -31.57 45.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.209 1.404 . . . . 0.0 114.504 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -81.58 -27.9 34.07 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.8 tm0? -65.4 -45.92 82.08 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.629 1.572 . . . . 0.0 111.13 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.72 -25.22 68.1 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.595 -0.69 . . . . 0.0 112.401 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -79.76 -11.82 59.82 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.02 -25.6 68.46 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.957 1.253 . . . . 0.0 111.74 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.63 -21.16 64.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.959 0.904 . . . . 0.0 113.229 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.03 -23.51 65.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.289 1.036 . . . . 0.0 113.041 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.65 -41.23 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.778 0.831 . . . . 0.0 109.337 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.87 -23.57 66.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.777 1.231 . . . . 0.0 113.666 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -50.52 -46.81 57.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.566 1.146 . . . . 0.0 112.075 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -62.76 -23.89 67.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.778 1.631 . . . . 0.0 113.666 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -92.47 -30.56 15.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.06 1.744 . . . . 0.0 112.777 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.88 -4.84 51.71 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.868 2.067 . . . . 0.0 112.943 175.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -49.5 131.75 20.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.431 1.492 . . . . 0.0 111.45 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -104.87 177.88 4.72 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.689 1.996 . . . . 0.0 111.126 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -58.5 157.18 9.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.334 1.453 . . . . 0.0 111.656 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -58.12 -19.4 32.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -67.87 -20.51 65.14 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.94 -11.86 57.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.573 1.149 . . . . 0.0 113.434 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.4 -21.73 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 111.304 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.41 -26.32 63.13 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.884 -1.135 . . . . 0.0 113.129 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -62.43 -17.72 60.0 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.962 1.705 . . . . 0.0 113.672 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -63.76 -18.2 63.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -59.82 -20.78 58.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.108 -0.995 . . . . 0.0 112.024 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -53.2 -36.98 61.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -22.79 62.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.75 -21.0 8.93 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.586 1.565 . . . . 0.0 114.276 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 74.2 mt -92.7 -76.18 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.936 1.694 . . . . 0.0 112.302 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.98 137.15 87.29 Favored Pre-proline 0 CA--C 1.555 1.144 0 C-N-CA 126.153 1.781 . . . . 0.0 111.974 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.5 167.9 25.79 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.97 2.447 . . . . 0.0 112.334 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.55 127.1 35.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.991 . . . . 0.0 111.437 176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 124.82 1.248 . . . . 0.0 113.341 175.003 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.01 -0.519 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.82 163.82 31.91 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.057 2.505 . . . . 0.0 112.222 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -105.52 143.31 33.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.978 1.311 . . . . 0.0 111.56 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -154.71 167.62 29.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.985 1.714 . . . . 0.0 111.5 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.22 7.85 15.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.444 1.898 . . . . 0.0 113.688 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -65.29 163.45 15.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.264 1.425 . . . . 0.0 112.685 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.67 1.33 50.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.874 1.67 . . . . 0.0 114.047 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -50.78 -32.92 21.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.031 1.732 . . . . 0.0 113.739 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.57 -30.99 69.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -74.4 -37.53 63.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.14 1.376 . . . . 0.0 111.653 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.82 -33.34 64.11 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.352 -0.843 . . . . 0.0 111.878 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -61.11 -19.53 61.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.452 1.501 . . . . 0.0 113.423 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -54.41 -49.09 70.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.507 1.123 . . . . 0.0 111.122 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.27 -29.65 68.49 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -70.51 -51.41 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 111.964 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.36 -30.79 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.598 -0.689 . . . . 0.0 112.618 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.01 -31.34 69.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.009 0.924 . . . . 0.0 113.395 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -66.49 -51.94 51.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.749 0.819 . . . . 0.0 110.716 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -58.04 -32.58 68.12 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -64.02 -24.14 67.6 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -92.02 -21.63 20.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.548 1.539 . . . . 0.0 113.726 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -76.14 139.06 41.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.667 1.587 . . . . 0.0 111.894 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -67.68 95.89 0.52 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.461 1.904 . . . . 0.0 112.46 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -143.57 166.39 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.561 1.944 . . . . 0.0 111.799 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -59.04 -25.83 64.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.083 0.953 . . . . 0.0 113.24 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.9 -15.51 63.01 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.52 -23.72 61.05 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.206 -0.933 . . . . 0.0 112.76 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 t -66.79 -26.41 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.839 1.256 . . . . 0.0 111.632 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.68 -22.85 67.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.263 1.025 . . . . 0.0 113.177 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -66.63 -20.27 65.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.174 1.39 . . . . 0.0 113.647 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.65 -32.3 65.23 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.28 1.032 . . . . 0.0 112.551 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -78.12 -45.1 24.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.974 0.91 . . . . 0.0 111.562 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -57.38 -31.97 66.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -58.25 -28.74 65.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.247 1.819 . . . . 0.0 113.737 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.02 -32.02 7.0 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.748 1.166 . . . . 0.0 113.73 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.42 -69.86 0.51 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.354 1.462 . . . . 0.0 112.539 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -72.95 136.76 79.64 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.943 1.297 . . . . 0.0 110.649 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.88 83.84 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.454 2.769 . . . . 0.0 112.132 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -68.15 140.28 56.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.837 1.255 . . . . 0.0 110.661 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.276 1.831 . . . . 0.0 110.365 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.046 -0.502 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.64 122.08 9.22 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.939 3.092 . . . . 0.0 112.378 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.06 -0.21 29.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.843 1.657 . . . . 0.0 114.099 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -64.74 -50.28 67.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.318 1.447 . . . . 0.0 112.883 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.05 139.57 39.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 112.301 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -100.69 98.81 9.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.464 1.505 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.2 15.41 25.15 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.358 1.863 . . . . 0.0 113.949 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -51.28 -39.76 57.48 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.268 1.427 . . . . 0.0 112.651 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.34 -38.11 89.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.769 1.228 . . . . 0.0 113.424 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -66.11 -43.19 87.95 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.252 1.021 . . . . 0.0 111.377 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.47 -43.9 88.84 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.636 -0.665 . . . . 0.0 110.216 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -60.4 -27.42 67.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.114 0.966 . . . . 0.0 113.479 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -59.37 -35.8 74.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.713 1.205 . . . . 0.0 112.06 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.7 mt -78.34 -27.59 47.06 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -80.11 -41.96 24.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.564 1.146 . . . . 0.0 112.794 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -37.12 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.285 -0.884 . . . . 0.0 111.093 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.18 -8.01 52.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.213 1.405 . . . . 0.0 114.333 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -97.23 -54.42 3.17 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.477 1.511 . . . . 0.0 109.469 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -62.23 -16.73 55.31 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.9 -39.54 71.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.991 1.316 . . . . 0.0 112.981 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -103.53 -19.45 14.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 114.317 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -71.81 160.9 31.79 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.611 1.165 . . . . 0.0 111.159 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.88 90.47 6.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 0.0 109.431 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -63.55 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.07 2.148 . . . . 0.0 113.1 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -66.11 0.13 2.13 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -57.33 -27.8 62.55 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.751 -1.218 . . . . 0.0 113.312 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.0 -23.5 65.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.041 1.336 . . . . 0.0 114.467 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.52 -31.9 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.748 1.219 . . . . 0.0 110.688 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.4 -19.36 65.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.93 0.892 . . . . 0.0 112.498 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -62.89 -26.45 68.8 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.085 0.954 . . . . 0.0 112.879 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -69.45 -38.35 77.75 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.729 1.212 . . . . 0.0 112.795 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -95.15 -38.75 10.45 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.666 1.186 . . . . 0.0 113.057 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -56.88 -37.77 71.84 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -26.36 63.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.0 1.72 . . . . 0.0 114.395 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.12 -18.14 29.98 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.726 1.155 . . . . 0.0 114.136 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.2 mt -96.93 -68.62 0.79 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.39 1.876 . . . . 0.0 112.249 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -73.21 157.4 88.33 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.123 1.369 . . . . 0.0 112.767 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.32 119.05 5.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.614 2.876 . . . . 0.0 112.46 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -137.21 152.23 49.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.153 1.781 . . . . 0.0 110.863 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.787 2.035 . . . . 0.0 112.715 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.33 -0.367 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.84 -10.66 23.37 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.566 2.844 . . . . 0.0 114.353 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 59.84 22.12 11.05 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.752 2.021 . . . . 0.0 114.293 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -76.72 166.98 22.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.668 1.987 . . . . 0.0 113.267 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.3 mt -81.07 85.86 6.23 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.62 1.568 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -131.99 79.14 1.85 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.956 1.302 . . . . 0.0 111.097 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -141.69 155.48 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.09 1.756 . . . . 0.0 112.644 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.36 -24.47 67.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.588 1.155 . . . . 0.0 113.256 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -25.48 49.16 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.254 1.022 . . . . 0.0 112.726 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -60.18 -18.95 51.66 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.842 0.747 . . . . 0.0 112.353 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.57 -27.65 66.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.137 1.335 . . . . 0.0 111.46 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -15.2 34.08 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.47 1.108 . . . . 0.0 112.497 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.34 -24.96 61.34 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.718 0.807 . . . . 0.0 111.458 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.87 -20.26 49.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.5 1.12 . . . . 0.0 113.615 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -61.84 -23.49 66.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.62 1.168 . . . . 0.0 111.089 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -57.48 -28.65 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.026 0.93 . . . . 0.0 111.392 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -57.48 -28.46 63.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.387 1.075 . . . . 0.0 113.051 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -75.38 -56.17 4.98 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.561 1.144 . . . . 0.0 109.602 175.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.23 -18.69 65.34 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 113.887 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.4 73.25 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.194 1.798 . . . . 0.0 111.994 175.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -87.21 -19.96 27.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.901 1.281 . . . . 0.0 113.671 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -76.4 151.18 36.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.118 1.767 . . . . 0.0 111.513 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -80.02 82.89 6.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.077 0.951 . . . . 0.0 110.05 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -102.21 139.24 38.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.038 1.735 . . . . 0.0 109.409 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -57.41 -23.63 50.57 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.109 -0.995 . . . . 0.0 113.568 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -63.53 -20.96 66.05 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.863 1.265 . . . . 0.0 114.298 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.62 -15.85 63.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.177 0.991 . . . . 0.0 113.298 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.1 t -79.12 -23.18 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.945 1.298 . . . . 0.0 112.244 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.51 -23.89 67.19 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.788 -1.195 . . . . 0.0 112.766 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -59.82 -15.76 23.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.701 2.001 . . . . 0.0 113.438 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.8 -27.0 69.01 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.959 0.904 . . . . 0.0 111.258 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.95 -18.4 65.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.289 1.036 . . . . 0.0 112.801 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -37.61 50.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -55.4 -23.54 25.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.152 2.181 . . . . 0.0 114.643 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.8 4.75 42.61 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.418 1.961 . . . . 0.0 114.705 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -128.0 -70.6 0.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.811 2.044 . . . . 0.0 111.592 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -67.84 130.48 92.87 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.97 1.308 . . . . 0.0 109.357 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.53 168.21 18.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.34 2.027 . . . . 0.0 112.446 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 174.01 7.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.518 1.927 . . . . 0.0 111.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.828 1.651 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 119.15 -0.453 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.48 88.18 0.51 Allowed 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 124.207 3.271 . . . . 0.0 112.221 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -143.93 138.43 28.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.28 1.832 . . . . 0.0 110.679 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.98 121.27 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.791 1.237 . . . . 0.0 110.558 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.58 164.78 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.388 1.875 . . . . 0.0 111.6 175.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -126.51 171.09 11.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.995 1.718 . . . . 0.0 112.107 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -62.47 135.04 57.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.264 1.425 . . . . 0.0 112.21 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -64.18 -38.62 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.451 0.7 . . . . 0.0 112.526 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.09 -31.16 62.98 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -71.56 -48.77 46.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.356 1.062 . . . . 0.0 111.307 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.48 -38.1 88.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.317 -0.865 . . . . 0.0 111.951 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -58.57 -20.09 43.84 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -53.79 25.0 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.731 0.812 . . . . 0.0 109.095 175.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.86 -26.41 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -58.29 -19.58 35.75 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.615 1.166 . . . . 0.0 113.676 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.57 -41.55 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.823 0.738 . . . . 0.0 111.187 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -66.61 -35.07 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.505 1.122 . . . . 0.0 112.473 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -63.17 -60.74 3.01 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.084 0.954 . . . . 0.0 109.796 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -58.1 -37.21 74.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.104 0.961 . . . . 0.0 113.132 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -58.72 -24.04 60.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.63 1.572 . . . . 0.0 114.516 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.51 -10.92 14.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.394 1.477 . . . . 0.0 113.769 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -66.9 156.03 36.85 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.39 1.476 . . . . 0.0 111.363 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -105.18 25.83 10.1 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.203 2.201 . . . . 0.0 114.044 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -61.07 145.84 49.43 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.382 1.473 . . . . 0.0 112.415 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -59.39 -25.98 64.74 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -68.04 -17.15 64.32 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.68 -18.12 42.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.771 1.228 . . . . 0.0 112.448 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.31 -22.51 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.17 0.988 . . . . 0.0 111.223 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.79 -22.77 62.63 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.982 -1.074 . . . . 0.0 113.48 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.32 -18.67 63.84 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.766 1.226 . . . . 0.0 113.236 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -79.47 -16.18 56.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.331 1.053 . . . . 0.0 113.166 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.97 -16.51 59.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.94 -1.1 . . . . 0.0 112.997 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -57.36 -33.3 67.65 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -21.35 60.32 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.512 1.125 . . . . 0.0 113.815 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.93 -39.99 2.22 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.6 1.572 . . . . 0.0 112.799 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.8 mt -79.2 -58.31 3.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.984 1.314 . . . . 0.0 113.957 -176.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.08 68.41 36.0 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.634 1.574 . . . . 0.0 111.02 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -65.61 115.17 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.448 2.766 . . . . 0.0 112.005 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.08 10.61 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.369 1.468 . . . . 0.0 114.568 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.694 2.397 . . . . 0.0 111.741 -177.241 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.13 145.63 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.936 2.424 . . . . 0.0 112.022 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -147.04 159.85 43.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.794 1.638 . . . . 0.0 111.439 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.09 -68.28 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.798 1.639 . . . . 0.0 111.005 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.95 100.8 0.17 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.662 1.585 . . . . 0.0 111.358 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -56.54 148.95 18.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.601 1.16 . . . . 0.0 112.617 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -113.58 157.79 21.62 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.217 1.807 . . . . 0.0 111.034 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -57.76 -27.09 62.74 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.865 1.266 . . . . 0.0 113.157 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.14 -20.89 44.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.857 1.663 . . . . 0.0 113.07 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.05 -26.91 67.96 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.048 -1.033 . . . . 0.0 112.071 174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.89 -43.76 52.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.391 1.076 . . . . 0.0 110.29 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.55 -14.83 62.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.41 1.084 . . . . 0.0 112.642 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -27.44 65.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.597 1.159 . . . . 0.0 111.486 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.35 -20.39 66.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.324 1.049 . . . . 0.0 113.458 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.97 -24.76 24.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.941 1.296 . . . . 0.0 111.618 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.67 -24.55 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.546 1.139 . . . . 0.0 111.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -57.09 -28.04 62.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -73.16 -54.2 9.06 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -65.92 -27.65 68.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 112.935 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -62.82 -24.44 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.371 1.868 . . . . 0.0 113.458 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -77.83 -20.79 52.53 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.588 1.155 . . . . 0.0 112.931 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.17 163.85 15.25 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.369 1.468 . . . . 0.0 110.75 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -81.34 29.52 0.36 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.866 2.066 . . . . 0.0 112.92 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.57 167.19 13.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.595 1.558 . . . . 0.0 112.158 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -60.36 -22.81 63.72 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.611 -1.306 . . . . 0.0 113.284 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -66.12 -18.71 65.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.97 -24.78 63.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.441 0.696 . . . . 0.0 112.633 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.05 -30.61 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.819 1.247 . . . . 0.0 112.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.65 -28.1 69.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.35 -0.844 . . . . 0.0 112.827 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -19.87 66.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.592 1.557 . . . . 0.0 113.904 177.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -59.85 -27.67 66.86 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 112.57 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.01 -14.5 62.96 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.912 0.885 . . . . 0.0 113.296 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.4 -41.81 73.2 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -57.98 -32.57 67.99 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.65 1.18 . . . . 0.0 113.92 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.81 -26.91 30.6 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.16 0.886 . . . . 0.0 113.921 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 67.8 mt -85.63 -69.69 0.64 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.862 1.665 . . . . 0.0 112.964 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -71.35 131.28 86.78 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.243 1.417 . . . . 0.0 110.988 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.97 105.03 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.088 2.525 . . . . 0.0 111.357 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -124.31 132.15 53.55 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.821 2.049 . . . . 0.0 110.579 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.305 1.842 . . . . 0.0 110.911 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.45 77.52 3.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.855 3.037 . . . . 0.0 112.279 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.83 130.92 44.96 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.158 -0.964 . . . . 0.0 111.092 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -126.1 130.9 52.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.686 1.595 . . . . 0.0 110.871 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.55 136.98 58.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.223 1.009 . . . . 0.0 111.499 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -94.05 -14.91 25.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.006 0.922 . . . . 0.0 112.527 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -138.14 114.62 10.41 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.592 2.357 . . . . 0.0 111.334 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -25.46 66.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 175.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.3 -25.59 64.27 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 113.015 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -58.6 -32.6 69.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.12 -45.06 96.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.989 0.916 . . . . 0.0 111.974 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -78.13 -30.06 49.17 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.718 0.807 . . . . 0.0 112.89 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -62.68 -33.06 74.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.253 1.421 . . . . 0.0 112.622 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -54.72 -25.16 25.67 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.885 1.274 . . . . 0.0 114.345 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -61.55 -49.12 77.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.74 1.216 . . . . 0.0 111.929 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -82.79 -28.34 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.382 1.073 . . . . 0.0 111.406 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.37 -22.81 54.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.44 1.096 . . . . 0.0 112.581 175.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.21 -41.45 93.06 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.399 1.479 . . . . 0.0 110.665 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -65.68 -26.76 67.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.424 1.089 . . . . 0.0 111.968 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -76.74 -34.48 58.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.791 0.837 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -89.8 -15.23 32.78 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -31.15 71.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.535 1.134 . . . . 0.0 113.098 175.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -69.62 143.0 53.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.255 1.822 . . . . 0.0 110.496 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 41.2 69.91 0.31 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.896 2.079 . . . . 0.0 114.594 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -64.71 -12.33 45.61 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.446 -0.784 . . . . 0.0 112.422 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -64.67 -20.31 66.23 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.29 -21.95 48.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.738 1.615 . . . . 0.0 112.844 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.35 -22.91 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.909 1.284 . . . . 0.0 111.708 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.16 -19.97 49.69 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.24 -22.06 66.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.202 1.001 . . . . 0.0 112.314 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.6 -24.68 67.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.189 1.396 . . . . 0.0 113.273 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -61.51 -34.69 75.93 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.527 -0.733 . . . . 0.0 111.288 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -53.17 -39.43 63.61 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -55.58 -23.38 26.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.301 1.44 . . . . 0.0 114.079 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.33 -3.23 38.28 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.877 1.703 . . . . 0.0 115.129 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.07 -74.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.698 1.999 . . . . 0.0 112.352 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -115.55 78.7 6.77 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.532 1.933 . . . . 0.0 110.496 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.19 80.97 2.08 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.986 3.124 . . . . 0.0 110.999 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -131.33 144.75 51.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.456 1.903 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.149 2.18 . . . . 0.0 112.784 -178.666 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.73 159.65 45.16 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.954 2.436 . . . . 0.0 112.587 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.16 75.32 3.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.263 1.025 . . . . 0.0 111.639 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -69.66 163.13 26.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.892 1.277 . . . . 0.0 112.577 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -41.7 6.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.333 1.853 . . . . 0.0 112.395 178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -68.14 134.9 51.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.896 0.878 . . . . 0.0 110.176 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 54.29 18.04 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.709 2.004 . . . . 0.0 114.932 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -60.47 -46.89 88.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.713 1.605 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.55 -26.19 68.45 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -70.26 -24.63 63.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.143 0.977 . . . . 0.0 112.126 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.73 -34.6 76.09 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 110.452 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.97 -21.12 58.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 113.431 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -63.16 -48.99 76.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.286 1.435 . . . . 0.0 111.725 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -82.31 -21.48 36.08 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.96 -26.56 67.63 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.201 1.0 . . . . 0.0 112.055 174.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.34 -38.35 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 120.991 -1.068 . . . . 0.0 111.063 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -26.82 68.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.088 0.955 . . . . 0.0 112.797 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.968 1.307 . . . . 0.0 110.454 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.4 ttm-85 -74.66 -27.5 60.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.8 0.84 . . . . 0.0 111.674 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -79.18 -33.19 44.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -78.68 -29.0 45.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -179.63 6.67 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.223 1.809 . . . . 0.0 111.529 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -50.08 148.3 3.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.046 1.338 . . . . 0.0 112.356 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -76.64 68.39 2.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.156 0.979 . . . . 0.0 112.678 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.19 -23.98 67.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.058 -1.026 . . . . 0.0 111.857 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -67.86 -26.21 65.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.59 -32.03 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.283 1.833 . . . . 0.0 112.926 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -67.96 -38.55 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 110.991 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.33 -24.15 64.79 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -62.2 -17.79 59.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.136 0.975 . . . . 0.0 113.348 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.53 -29.05 46.26 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.229 -0.919 . . . . 0.0 112.707 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.7 -38.65 6.33 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.293 1.437 . . . . 0.0 112.974 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.15 -45.37 68.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -67.49 -29.42 68.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.117 2.567 . . . . 0.0 112.725 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.93 -16.44 63.26 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.337 0.97 . . . . 0.0 113.145 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 37.7 mt -89.42 -62.61 1.44 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.286 2.235 . . . . 0.0 112.707 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.99 153.14 24.83 Favored Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.67 112.72 2.95 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.944 3.096 . . . . 0.0 112.188 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -84.75 1.33 47.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.791 1.636 . . . . 0.0 114.024 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.817 2.447 . . . . 0.0 112.234 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.6 ptt? . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.56 161.57 42.93 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.24 2.627 . . . . 0.0 112.536 174.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.72 47.99 1.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.921 1.288 . . . . 0.0 113.142 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -54.16 -55.17 30.42 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.15 1.38 . . . . 0.0 113.338 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.0 116.23 19.18 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.252 1.021 . . . . 0.0 111.17 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -67.21 128.18 35.41 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 123.521 0.728 . . . . 0.0 109.999 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -127.3 142.75 51.38 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.626 1.571 . . . . 0.0 111.578 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -22.19 66.51 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.97 0.908 . . . . 0.0 111.621 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -63.39 -26.75 68.89 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.518 0.727 . . . . 0.0 109.692 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.61 -35.07 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.767 1.167 . . . . 0.0 112.228 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.24 -47.3 80.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.715 0.806 . . . . 0.0 111.188 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -67.34 -31.33 71.52 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 123.651 0.78 . . . . 0.0 112.23 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.4 -20.23 53.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.098 0.863 . . . . 0.0 112.917 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -69.3 -52.96 22.24 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.166 1.387 . . . . 0.0 112.111 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 p -72.55 -28.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.355 -0.841 . . . . 0.0 112.102 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.302 5.8 tm-20 -55.19 -25.78 34.91 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 127.217 2.207 . . . . 0.0 110.544 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -71.87 -31.08 66.09 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 103.599 -2.741 . . . . 0.0 103.599 -170.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.89 -23.15 62.24 Favored 'General case' 0 CA--C 1.456 -2.657 0 CA-C-N 120.718 1.599 . . . . 0.0 109.921 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -67.3 -35.53 79.64 Favored 'General case' 0 CA--C 1.463 -2.399 0 O-C-N 118.083 -2.886 . . . . 0.0 108.862 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.75 -18.15 64.79 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 118.089 -2.882 . . . . 0.0 113.439 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -90.26 -7.89 52.32 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.763 1.625 . . . . 0.0 113.32 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -70.47 175.43 4.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 111.09 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.97 149.48 40.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.783 1.233 . . . . 0.0 112.229 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -63.14 -4.43 2.39 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -59.38 -23.23 62.4 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.09 -16.51 59.9 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.62 -22.13 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.381 1.472 . . . . 0.0 110.714 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -62.59 -24.26 67.47 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 121.067 -1.021 . . . . 0.0 110.999 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -21.43 59.92 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.968 1.707 . . . . 0.0 113.549 176.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.24 -20.12 65.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.773 1.229 . . . . 0.0 112.656 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -63.86 -24.57 67.8 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -49.58 -47.75 49.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -55.09 -32.52 62.05 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.749 1.159 . . . . 0.0 113.952 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.15 -31.95 15.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.371 0.986 . . . . 0.0 113.691 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 87.2 mt -81.66 -70.01 0.57 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.102 1.761 . . . . 0.0 112.52 -178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -86.0 134.19 39.6 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.403 1.481 . . . . 0.0 111.945 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.35 149.9 70.05 Favored 'Trans proline' 0 CA--C 1.553 1.438 0 C-N-CA 122.119 1.879 . . . . 0.0 110.021 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.04 147.72 52.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.287 1.035 . . . . 0.0 111.633 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 C--O 1.259 1.597 0 C-N-CA 126.641 1.977 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.37 155.8 50.79 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.133 2.555 . . . . 0.0 112.072 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -141.08 132.16 26.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.607 1.563 . . . . 0.0 110.413 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -140.49 170.5 15.68 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.273 1.829 . . . . 0.0 111.92 -176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.59 168.83 15.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.572 1.149 . . . . 0.0 110.731 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -136.42 168.31 19.69 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.977 1.311 . . . . 0.0 111.823 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -111.82 14.51 21.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.971 1.708 . . . . 0.0 113.053 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -47.78 -30.39 3.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.008 2.123 . . . . 0.0 113.629 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.01 -52.54 62.82 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 112.42 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.22 -40.5 37.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 111.779 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -25.13 66.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.442 0.697 . . . . 0.0 112.321 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -54.52 -28.01 42.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.119 1.367 . . . . 0.0 113.572 175.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.42 -40.47 81.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.842 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.72 -21.96 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.258 1.023 . . . . 0.0 113.446 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -57.77 -32.61 67.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.385 1.474 . . . . 0.0 112.681 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.74 -31.32 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.508 1.123 . . . . 0.0 112.569 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -79.82 -31.75 40.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.692 1.197 . . . . 0.0 111.708 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.22 -45.57 80.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.7 1.2 . . . . 0.0 110.698 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -52.43 -28.45 20.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.196 1.398 . . . . 0.0 114.109 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -32.1 68.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.372 1.069 . . . . 0.0 112.722 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -105.79 5.26 30.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.233 2.213 . . . . 0.0 114.314 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.25 178.74 0.36 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.612 1.565 . . . . 0.0 111.184 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.21 178.68 0.09 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.545 1.938 . . . . 0.0 111.32 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -50.49 157.35 0.74 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.145 0.978 . . . . 0.0 112.277 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -53.83 -18.05 2.94 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -25.07 67.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.99 1.316 . . . . 0.0 113.822 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -80.03 -12.63 59.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.994 1.317 . . . . 0.0 113.439 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.68 -21.87 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.957 0.903 . . . . 0.0 110.896 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -55.5 -25.02 34.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.366 1.067 . . . . 0.0 113.877 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -59.78 -20.42 56.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.007 1.323 . . . . 0.0 112.867 175.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.3 -14.15 54.28 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.886 1.274 . . . . 0.0 113.026 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -55.35 -22.2 18.4 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.125 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -52.45 -42.17 63.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -56.14 -29.05 60.21 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.496 1.518 . . . . 0.0 114.748 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.58 -32.13 7.87 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.158 0.885 . . . . 0.0 113.776 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.74 -75.77 0.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.21 163.73 66.25 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.089 1.356 . . . . 0.0 112.754 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.79 162.38 41.31 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.025 2.483 . . . . 0.0 112.898 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.42 163.26 28.29 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.13 1.372 . . . . 0.0 111.942 174.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.771 1.228 . . . . 0.0 111.379 175.07 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.894 -0.098 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.09 95.32 1.02 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.738 2.959 . . . . 0.0 112.376 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -151.39 115.13 4.91 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.238 -0.913 . . . . 0.0 111.837 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -121.57 114.36 21.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.534 1.534 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 mt -92.74 126.11 37.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.205 1.402 . . . . 0.0 110.765 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -113.39 20.98 15.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.203 1.801 . . . . 0.0 112.259 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.07 149.99 46.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.705 1.602 . . . . 0.0 111.577 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -56.12 -28.18 56.88 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.843 1.257 . . . . 0.0 113.304 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -27.28 64.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.753 1.221 . . . . 0.0 112.409 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -57.42 -20.54 30.7 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.431 1.092 . . . . 0.0 112.891 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -59.68 -25.38 64.7 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.796 -1.19 . . . . 0.0 111.269 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -61.86 -15.38 41.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.211 1.404 . . . . 0.0 112.805 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.99 -24.45 58.2 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.815 0.846 . . . . 0.0 111.347 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.09 -21.63 61.74 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.279 0.945 . . . . 0.0 113.477 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -17.89 62.72 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.967 1.307 . . . . 0.0 111.244 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.77 -28.14 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.625 1.17 . . . . 0.0 112.044 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.93 -23.62 63.67 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.198 -0.939 . . . . 0.0 113.532 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -74.78 -52.05 12.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.331 1.452 . . . . 0.0 110.926 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -68.66 -24.65 64.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -56.43 -31.9 64.36 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.925 1.239 . . . . 0.0 113.383 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -84.14 -15.98 45.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -95.6 5.67 50.88 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.608 2.363 . . . . 0.0 113.828 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -55.86 162.84 1.64 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.482 1.513 . . . . 0.0 111.197 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.68 157.63 5.23 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.802 1.241 . . . . 0.0 111.792 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -55.62 -21.33 17.21 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.879 -1.138 . . . . 0.0 113.29 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.65 -18.24 63.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.689 1.596 . . . . 0.0 114.23 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -24.01 62.46 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.239 -0.913 . . . . 0.0 113.149 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.6 t -72.61 -18.28 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.072 1.349 . . . . 0.0 111.838 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.76 -17.92 57.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.732 -1.23 . . . . 0.0 113.594 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.76 -25.13 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.946 -1.096 . . . . 0.0 113.367 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.13 -50.0 75.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.605 1.162 . . . . 0.0 111.8 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -70.72 -41.41 71.93 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.033 0.533 . . . . 0.0 111.986 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -51.1 -40.99 59.7 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -53.19 -35.55 59.97 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.65 -25.37 30.32 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 123.774 0.702 . . . . 0.0 113.904 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 79.1 mt -78.86 -65.09 1.04 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.779 . . . . 0.0 112.851 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -66.74 160.52 67.88 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.12 1.368 . . . . 0.0 112.028 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.49 177.57 6.61 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 123.661 2.907 . . . . 0.0 112.409 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -56.89 108.03 0.46 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.286 1.434 . . . . 0.0 111.026 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.723 1.609 . . . . 0.0 113.482 177.591 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.99 -17.46 19.55 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.138 2.558 . . . . 0.0 113.611 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -118.8 116.89 27.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.685 1.594 . . . . 0.0 110.737 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -72.8 174.9 7.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.188 1.795 . . . . 0.0 112.113 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.7 131.43 43.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.667 0.787 . . . . 0.0 111.019 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -110.21 89.89 3.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.583 1.553 . . . . 0.0 108.472 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 55.02 16.19 1.43 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.021 2.128 . . . . 0.0 115.333 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.91 -25.61 43.81 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.313 2.245 . . . . 0.0 113.83 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.32 -41.82 80.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.756 1.222 . . . . 0.0 111.813 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.64 -31.5 61.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.745 1.218 . . . . 0.0 112.443 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.58 -56.7 10.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.872 0.869 . . . . 0.0 110.782 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -16.3 63.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -56.72 -33.91 66.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.602 1.161 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.4 -26.58 66.51 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.94 -25.43 34.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.685 1.594 . . . . 0.0 112.213 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.7 -39.69 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.835 0.854 . . . . 0.0 109.832 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -64.63 -29.42 70.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.596 1.159 . . . . 0.0 113.617 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -76.42 -39.38 53.66 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.195 1.398 . . . . 0.0 111.963 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -67.33 -29.01 68.46 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.087 0.858 . . . . 0.0 113.251 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.16 -23.77 49.73 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.006 1.322 . . . . 0.0 114.535 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -71.74 -16.82 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 -171.47 2.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.746 2.418 . . . . 0.0 111.407 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -62.97 106.95 0.9 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.394 1.478 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.1 123.94 16.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.375 1.47 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -61.23 -27.97 68.82 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.987 -1.071 . . . . 0.0 113.027 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.28 -19.51 65.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.98 -17.1 61.04 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.966 0.906 . . . . 0.0 112.522 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.89 -23.09 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.509 1.124 . . . . 0.0 112.049 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.9 -22.85 64.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.941 -1.1 . . . . 0.0 113.15 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -61.55 -15.81 42.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.166 2.187 . . . . 0.0 113.506 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -57.14 -32.23 66.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 0.0 112.538 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -81.2 -24.57 37.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.801 1.241 . . . . 0.0 112.93 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -54.42 -46.05 73.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -27.48 59.91 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.03 1.732 . . . . 0.0 114.641 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 -3.15 55.1 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.807 1.67 . . . . 0.0 114.342 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.77 -74.62 0.62 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.704 2.002 . . . . 0.0 110.8 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -78.58 133.75 62.61 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.336 1.455 . . . . 0.0 111.058 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.83 157.59 57.88 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.598 2.199 . . . . 0.0 112.232 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -95.45 156.48 16.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.779 1.232 . . . . 0.0 111.367 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.159 1.384 . . . . 0.0 112.085 175.531 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.31 119.58 6.23 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.994 2.463 . . . . 0.0 111.968 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.18 146.22 39.79 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.623 0.769 . . . . 0.0 111.592 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 160.26 25.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.329 1.052 . . . . 0.0 111.653 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.61 -33.04 74.72 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.88 0.872 . . . . 0.0 112.653 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -68.72 121.79 17.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.286 1.034 . . . . 0.0 111.352 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.64 34.4 1.07 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.077 1.751 . . . . 0.0 114.072 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.19 4.93 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -177.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -22.02 36.71 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.031 1.332 . . . . 0.0 112.419 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.32 -26.64 65.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.313 1.045 . . . . 0.0 112.094 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.92 -53.53 20.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.444 1.097 . . . . 0.0 109.533 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -57.62 -16.15 9.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.717 1.207 . . . . 0.0 114.249 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.36 -20.55 59.91 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.045 0.938 . . . . 0.0 111.379 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.89 -24.3 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.596 1.158 . . . . 0.0 113.417 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -86.37 -29.52 22.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.507 1.523 . . . . 0.0 111.621 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.67 -51.49 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.965 0.906 . . . . 0.0 110.438 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -24.95 64.37 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -64.53 -53.5 46.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.956 1.702 . . . . 0.0 111.426 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -77.65 -33.72 53.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 112.265 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -60.91 -20.62 62.33 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.933 1.242 . . . . 0.0 113.653 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -67.92 -20.61 65.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.822 0.849 . . . . 0.0 113.035 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.28 141.23 37.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.643 1.577 . . . . 0.0 110.34 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.4 141.03 55.55 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.878 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -157.7 174.44 15.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.402 1.881 . . . . 0.0 111.061 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.59 -28.79 33.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.634 0.774 . . . . 0.0 110.981 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -74.66 -22.46 58.87 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.55 -26.9 60.26 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.37 -22.47 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.914 1.285 . . . . 0.0 111.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.15 -21.23 64.92 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.791 -1.193 . . . . 0.0 113.465 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -29.39 59.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.454 1.102 . . . . 0.0 113.224 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.17 -17.97 65.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.747 1.219 . . . . 0.0 113.127 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.29 -35.32 80.67 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.014 -1.054 . . . . 0.0 111.057 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -51.7 -39.6 58.63 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -57.94 -24.89 59.84 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.22 -17.46 27.03 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.438 1.018 . . . . 0.0 114.327 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.19 -66.28 0.93 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.222 1.809 . . . . 0.0 112.54 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -64.89 133.96 95.91 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.927 1.291 . . . . 0.0 110.531 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.3 99.09 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.251 2.634 . . . . 0.0 110.895 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 153.46 21.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.649 0.779 . . . . 0.0 112.787 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.376 1.87 . . . . 0.0 112.63 -177.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 48.8 mtt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.49 -26.63 28.63 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.463 2.775 . . . . 0.0 113.489 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -134.75 164.86 26.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.932 2.093 . . . . 0.0 110.483 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -146.82 166.93 25.19 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 111.075 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt 50.87 25.2 2.07 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.218 2.207 . . . . 0.0 114.802 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -64.41 148.44 50.48 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.868 1.267 . . . . 0.0 113.498 -171.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -85.83 -3.99 59.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.931 1.692 . . . . 0.0 113.426 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -53.98 -46.37 71.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.273 2.229 . . . . 0.0 113.023 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.86 -40.35 95.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.019 0.528 . . . . 0.0 111.879 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.15 -40.36 93.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.245 1.018 . . . . 0.0 112.163 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -67.24 -49.13 65.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.589 0.756 . . . . 0.0 110.547 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.99 -35.13 77.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.241 1.016 . . . . 0.0 113.378 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.23 -43.01 92.37 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.608 1.963 . . . . 0.0 112.126 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.26 -32.01 72.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -75.08 -50.56 16.04 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.954 1.302 . . . . 0.0 112.33 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.39 -34.86 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.343 -0.848 . . . . 0.0 111.863 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.39 -36.86 74.18 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.422 -0.799 . . . . 0.0 112.736 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -66.84 -44.23 81.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.305 1.842 . . . . 0.0 112.591 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.61 -26.96 62.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.808 0.843 . . . . 0.0 113.149 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -77.55 -11.78 59.89 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.087 1.755 . . . . 0.0 115.087 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.08 -21.86 66.7 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.878 1.217 . . . . 0.0 114.133 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 169.28 9.09 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.356 2.262 . . . . 0.0 111.718 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -80.92 117.32 21.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 111.679 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -85.74 155.16 21.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.533 1.133 . . . . 0.0 110.728 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -77.78 -6.12 53.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.42 -14.66 29.95 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.32 -20.71 62.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.579 1.152 . . . . 0.0 113.471 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.58 -24.05 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.54 1.136 . . . . 0.0 111.878 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.63 -23.34 65.35 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.727 -1.233 . . . . 0.0 113.289 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.03 -10.46 58.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -59.6 -32.66 70.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.215 -0.928 . . . . 0.0 110.935 175.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -79.33 -45.51 19.49 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.548 175.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.22 -33.09 72.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.65 -30.79 67.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.279 1.032 . . . . 0.0 113.755 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.27 -26.09 22.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.113 0.863 . . . . 0.0 114.259 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 69.7 mt -84.08 -59.56 2.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.262 1.425 . . . . 0.0 113.041 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -61.18 136.14 93.8 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.729 1.212 . . . . 0.0 111.096 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.04 151.78 73.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.649 2.232 . . . . 0.0 112.222 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -80.42 114.48 19.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.734 1.213 . . . . 0.0 110.599 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.127 1.771 . . . . 0.0 112.841 177.642 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.5 mtp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.91 175.13 11.62 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.52 2.814 . . . . 0.0 112.924 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -123.94 -49.15 1.86 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.013 1.325 . . . . 0.0 112.673 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -61.89 137.34 58.24 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.918 0.887 . . . . 0.0 112.186 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.84 -40.25 5.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.603 1.961 . . . . 0.0 112.398 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.72 85.95 4.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.195 0.998 . . . . 0.0 110.829 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -143.27 141.59 31.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.168 1.387 . . . . 0.0 111.116 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -26.01 68.55 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.983 1.313 . . . . 0.0 113.275 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.95 -34.43 22.46 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.593 0.757 . . . . 0.0 112.698 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -58.2 -44.94 88.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.572 1.078 . . . . 0.0 111.501 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -63.45 -26.93 68.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -82.37 -28.77 31.3 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.663 1.185 . . . . 0.0 113.441 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.0 -25.37 68.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.197 1.399 . . . . 0.0 112.899 175.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.26 -27.55 65.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.23 -35.58 81.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.793 1.237 . . . . 0.0 111.746 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 t -81.84 -36.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.038 1.335 . . . . 0.0 111.303 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -57.77 -27.16 62.8 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.242 -0.911 . . . . 0.0 113.352 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -54.47 -38.26 66.19 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.781 1.632 . . . . 0.0 112.741 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.68 -35.05 45.71 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.97 1.708 . . . . 0.0 112.582 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -69.45 -31.65 70.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 0.0 112.937 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.7 -17.66 49.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.88 1.672 . . . . 0.0 114.038 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -69.29 -19.26 63.9 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.413 1.485 . . . . 0.0 113.922 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -71.82 -177.04 1.83 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.171 1.789 . . . . 0.0 111.312 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.04 115.5 2.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.003 1.321 . . . . 0.0 112.062 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.87 -14.35 61.06 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -62.0 -18.8 61.69 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.59 -23.28 66.8 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 175.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.14 -18.71 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 124.655 1.182 . . . . 0.0 111.817 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -60.52 -33.35 72.51 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.468 -1.395 . . . . 0.0 112.289 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -62.49 -30.44 71.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.089 1.755 . . . . 0.0 114.274 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.8 -43.29 99.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.658 1.183 . . . . 0.0 111.23 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -76.27 -36.24 58.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.501 1.12 . . . . 0.0 112.764 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -50.04 -41.29 47.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -55.52 -28.32 54.03 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.45 -26.02 8.41 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.933 1.254 . . . . 0.0 114.362 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.8 mt -82.14 -73.31 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.493 1.517 . . . . 0.0 112.514 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -79.46 133.91 59.08 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.092 1.357 . . . . 0.0 110.203 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.37 160.52 48.72 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.296 1.997 . . . . 0.0 112.306 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -71.28 172.23 9.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.973 0.909 . . . . 0.0 111.737 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.578 1.551 . . . . 0.0 112.01 175.253 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.47 HG23 HD21 ' A' ' 97' ' ' LEU . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.695 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 90' ' ' ARG . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 128' ' ' ARG . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG22 ' A' ' 71' ' ' VAL . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 117' ' ' LEU . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 63' ' ' THR . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 94' ' ' LEU . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 68' ' ' ARG . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.532 ' HB2' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.648 HG11 ' HB3' ' A' ' 91' ' ' LEU . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 117' ' ' LEU . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 105' ' ' LEU . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 98' ' ' ILE . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 94' ' ' LEU . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.422 HG23 HD21 ' A' ' 97' ' ' LEU . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 94' ' ' LEU . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HB2' HD21 ' A' ' 94' ' ' LEU . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 120' ' ' LEU . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 HG23 ' A' ' 63' ' ' THR . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.506 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.506 HD12 HG23 ' A' ' 98' ' ' ILE . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 87' ' ' ALA . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' HD22 ' A' ' 94' ' ' LEU . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 90' ' ' ARG . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 87' ' ' ALA . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 124' ' ' LEU . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' HG22 ' A' ' 71' ' ' VAL . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 64' ' ' PHE . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 98' ' ' ILE . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 68' ' ' ARG . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 75' ' ' LEU . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.581 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 91' ' ' LEU . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 74' ' ' LEU . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 64' ' ' PHE . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.474 HD21 HG23 ' A' ' 63' ' ' THR . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.48 HG23 HD11 ' A' ' 110' ' ' LEU . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 98' ' ' ILE . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 102' ' ' VAL . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.434 HG23 HD21 ' A' ' 97' ' ' LEU . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CD1' HD22 ' A' ' 94' ' ' LEU . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 94' ' ' LEU . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 87' ' ' ALA . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 64' ' ' PHE . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HG23 ' A' ' 63' ' ' THR . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 98' ' ' ILE . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 CA--C 1.542 0.673 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 97' ' ' LEU . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 94' ' ' LEU . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 117' ' ' LEU . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 63' ' ' THR . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.704 HG23 HD21 ' A' ' 110' ' ' LEU . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 64' ' ' PHE . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 67' ' ' GLU . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HD21 ' A' ' 110' ' ' LEU . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.479 HD12 HG23 ' A' ' 98' ' ' ILE . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.488 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.407 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB2' HD21 ' A' ' 94' ' ' LEU . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 90' ' ' ARG . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 HG23 ' A' ' 63' ' ' THR . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.588 HG21 HE22 ' A' ' 114' ' ' GLN . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 98' ' ' ILE . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.588 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.457 HG23 HD21 ' A' ' 97' ' ' LEU . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' HD22 ' A' ' 94' ' ' LEU . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 90' ' ' ARG . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 124' ' ' LEU . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 71' ' ' VAL . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 67' ' ' GLU . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 63' ' ' THR . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 105' ' ' LEU . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 HG23 ' A' ' 98' ' ' ILE . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.531 HD13 ' HB ' ' A' ' 71' ' ' VAL . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 75' ' ' LEU . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 94' ' ' LEU . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.592 ' HB2' HD21 ' A' ' 94' ' ' LEU . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 120' ' ' LEU . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 120' ' ' LEU . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 67' ' ' GLU . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.546 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.54 HG23 HD21 ' A' ' 110' ' ' LEU . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 98' ' ' ILE . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.54 HD21 HG23 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 94' ' ' LEU . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 71' ' ' VAL . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 120.382 0.134 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' HD11 ' A' ' 120' ' ' LEU . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HB3' HG22 ' A' ' 71' ' ' VAL . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 67' ' ' GLU . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.643 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.426 HG23 HD11 ' A' ' 110' ' ' LEU . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 98' ' ' ILE . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 102' ' ' VAL . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.402 ' OE1' HG21 ' A' ' 98' ' ' ILE . 1.2 mp0 -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 94' ' ' LEU . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 94' ' ' LEU . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CB ' HD21 ' A' ' 94' ' ' LEU . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 71' ' ' VAL . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 67' ' ' GLU . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 105' ' ' LEU . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 98' ' ' ILE . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 124' ' ' LEU . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 121.833 0.825 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 120' ' ' LEU . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 67' ' ' GLU . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 98' ' ' ILE . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 68' ' ' ARG . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB2' HD21 ' A' ' 94' ' ' LEU . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' HD11 ' A' ' 117' ' ' LEU . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 110' ' ' LEU . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 107' ' ' ALA . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 94' ' ' LEU . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 68' ' ' ARG . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 HD21 ' A' ' 97' ' ' LEU . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 91' ' ' LEU . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.869 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 64' ' ' PHE . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 105' ' ' LEU . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 98' ' ' ILE . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 91' ' ' LEU . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' A' ' 123' ' ' ALA . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.66 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 98' ' ' ILE . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 98' ' ' ILE . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.738 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 119.906 -0.092 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 HD21 ' A' ' 97' ' ' LEU . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.47 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB2' HD21 ' A' ' 94' ' ' LEU . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' PHE . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 98' ' ' ILE . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 124' ' ' LEU . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 71' ' ' VAL . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 98' ' ' ILE . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HD21 ' A' ' 97' ' ' LEU . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 90' ' ' ARG . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 123' ' ' ALA . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HB3' HG22 ' A' ' 71' ' ' VAL . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 64' ' ' PHE . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 63' ' ' THR . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG23 HD21 ' A' ' 110' ' ' LEU . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.403 HD13 ' HB ' ' A' ' 71' ' ' VAL . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.9 -29.38 6.92 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.986 2.457 . . . . 0.0 113.382 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 55.04 23.57 5.28 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.329 2.252 . . . . 0.0 114.814 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -84.07 169.68 14.66 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.361 1.864 . . . . 0.0 113.216 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -83.89 90.8 7.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.38 1.872 . . . . 0.0 111.596 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -74.69 80.85 2.04 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.297 1.039 . . . . 0.0 111.536 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -93.35 -14.9 26.31 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.818 1.247 . . . . 0.0 113.639 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.453 1.501 . . . . 0.0 113.355 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -58.18 -33.22 69.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.819 0.847 . . . . 0.0 113.158 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.82 -30.16 70.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.419 1.087 . . . . 0.0 112.87 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -63.13 -43.21 99.03 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.091 -1.006 . . . . 0.0 110.05 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -29.54 58.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.681 1.192 . . . . 0.0 111.933 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -56.0 -18.23 8.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.211 1.404 . . . . 0.0 113.816 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.78 -23.19 63.08 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 112.102 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.17 -25.22 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.448 1.099 . . . . 0.0 112.442 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -61.8 -28.65 69.61 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.272 -0.892 . . . . 0.0 112.364 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -69.26 -39.31 78.51 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 111.355 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.52 -31.6 72.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.08 0.952 . . . . 0.0 112.224 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -59.28 -27.19 65.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.59 -20.37 58.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -175.36 5.41 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.361 1.464 . . . . 0.0 110.498 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -57.67 166.75 1.26 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.824 1.65 . . . . 0.0 111.79 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -55.39 146.87 18.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.607 1.163 . . . . 0.0 112.187 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -62.62 -7.59 5.02 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -58.73 -25.1 62.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.968 1.307 . . . . 0.0 114.391 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.73 -18.93 56.02 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.889 1.675 . . . . 0.0 113.452 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.75 -25.51 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.985 -1.072 . . . . 0.0 110.795 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -61.93 -27.2 68.66 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.204 -0.935 . . . . 0.0 113.179 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.64 -16.18 46.27 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.666 1.586 . . . . 0.0 113.513 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.2 55.89 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.539 -0.725 . . . . 0.0 112.304 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -76.47 -19.85 57.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.471 1.108 . . . . 0.0 112.677 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.47 HG23 HD21 ' A' ' 97' ' ' LEU . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.695 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 90' ' ' ARG . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 128' ' ' ARG . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG22 ' A' ' 71' ' ' VAL . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 117' ' ' LEU . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 63' ' ' THR . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 94' ' ' LEU . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 68' ' ' ARG . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.532 ' HB2' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -51.41 -49.5 61.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -55.39 -28.44 54.05 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.07 -15.87 40.35 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.2 1.381 . . . . 0.0 114.214 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 60.3 mt -90.03 -69.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.815 1.646 . . . . 0.0 111.633 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.53 157.28 47.85 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.431 1.092 . . . . 0.0 112.378 175.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.05 156.43 65.87 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.835 2.357 . . . . 0.0 111.933 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -105.93 161.54 14.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.659 1.584 . . . . 0.0 111.965 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.253 1.269 0 C-N-CA 124.756 1.223 . . . . 0.0 110.72 175.004 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.553 -0.26 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.86 171.5 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.256 2.638 . . . . 0.0 112.371 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.35 152.75 22.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.24 1.016 . . . . 0.0 112.695 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -93.06 -34.54 13.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.638 1.175 . . . . 0.0 112.165 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.82 85.51 2.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.084 1.754 . . . . 0.0 111.399 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -119.2 172.39 7.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.495 1.518 . . . . 0.0 111.321 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 55.03 31.6 16.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.159 1.783 . . . . 0.0 114.102 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -30.97 22.54 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.649 1.58 . . . . 0.0 114.292 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -73.4 -36.55 66.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.379 1.472 . . . . 0.0 112.117 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.6 -27.57 69.33 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.734 1.213 . . . . 0.0 111.59 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.53 -24.8 65.65 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.285 -0.885 . . . . 0.0 111.587 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -67.03 -24.35 65.99 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.323 1.049 . . . . 0.0 113.037 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -70.54 -33.56 71.28 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.342 1.057 . . . . 0.0 111.308 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -25.25 66.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -56.29 -28.98 60.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.226 1.41 . . . . 0.0 113.163 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.82 -56.26 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.781 0.832 . . . . 0.0 109.734 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.46 -20.11 65.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.052 0.941 . . . . 0.0 113.412 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -56.0 -37.74 69.55 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.766 1.627 . . . . 0.0 110.608 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -66.08 -20.53 66.2 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.892 1.677 . . . . 0.0 114.306 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -83.33 -31.19 26.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.718 1.207 . . . . 0.0 112.428 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.58 1.47 25.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.676 1.99 . . . . 0.0 113.775 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 141.08 31.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.205 1.402 . . . . 0.0 110.934 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.67 175.75 5.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.577 0.703 . . . . 0.0 110.571 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -57.14 172.09 0.32 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.711 1.204 . . . . 0.0 111.726 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -56.69 -12.64 1.95 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.24 -19.74 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.42 -12.3 57.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.886 . . . . 0.0 112.889 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.53 -19.91 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.161 0.984 . . . . 0.0 111.266 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.99 -25.29 63.5 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.869 -1.144 . . . . 0.0 112.704 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -69.54 -17.94 63.62 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.258 1.823 . . . . 0.0 113.94 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.56 -17.91 60.96 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 112.522 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.86 -21.0 56.15 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.326 -0.859 . . . . 0.0 111.884 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.648 HG11 ' HB3' ' A' ' 91' ' ' LEU . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 117' ' ' LEU . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 105' ' ' LEU . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 98' ' ' ILE . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 94' ' ' LEU . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.1 -34.21 55.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -23.18 10.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.293 1.837 . . . . 0.0 114.954 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.01 -29.14 4.71 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.469 1.509 . . . . 0.0 113.433 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.48 -66.71 0.85 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 112.286 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -118.94 73.49 12.32 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.14 2.176 . . . . 0.0 109.242 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.96 155.17 65.86 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.619 2.213 . . . . 0.0 111.38 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.13 132.32 51.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.774 0.83 . . . . 0.0 110.225 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.001 1.72 . . . . 0.0 111.693 -177.614 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.36 -16.62 19.33 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.75 2.3 . . . . 0.0 114.133 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.49 -31.69 72.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.797 1.239 . . . . 0.0 112.985 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -111.73 161.79 15.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.046 1.738 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.61 7.28 39.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.769 1.628 . . . . 0.0 113.644 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -68.47 153.55 43.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.651 1.18 . . . . 0.0 112.766 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -98.35 -4.68 34.37 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.269 1.428 . . . . 0.0 113.744 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -56.41 -23.65 39.72 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.129 1.771 . . . . 0.0 113.524 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -55.84 -29.0 59.15 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.693 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -61.91 -32.04 72.39 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.417 -0.802 . . . . 0.0 112.591 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.18 -26.81 61.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.135 -0.978 . . . . 0.0 112.5 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -62.41 -18.24 61.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.2 1.0 . . . . 0.0 113.413 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -54.41 -42.89 70.99 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.034 1.333 . . . . 0.0 111.468 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.22 -16.21 47.39 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.806 0.842 . . . . 0.0 113.224 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.69 -20.28 53.92 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.324 -0.86 . . . . 0.0 112.041 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -52.3 -48.72 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.229 1.377 . . . . 0.0 112.062 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -66.11 -23.01 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -78.7 -47.49 16.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.015 2.126 . . . . 0.0 110.945 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -54.81 -31.3 58.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.039 1.736 . . . . 0.0 112.877 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.16 -27.23 65.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.756 1.622 . . . . 0.0 113.502 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.83 -18.0 13.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.912 2.085 . . . . 0.0 114.117 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -179.95 1.42 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.076 2.15 . . . . 0.0 111.498 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -63.96 171.71 2.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.165 1.386 . . . . 0.0 111.612 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 71.17 78.04 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.7 2.0 . . . . 0.0 112.037 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.49 -3.35 4.29 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -21.99 64.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.853 1.261 . . . . 0.0 114.112 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.07 -17.3 53.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.182 1.393 . . . . 0.0 113.765 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.74 -19.0 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.24 1.416 . . . . 0.0 111.695 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -58.13 -26.46 62.69 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.876 -1.14 . . . . 0.0 113.313 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.23 -18.31 57.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.467 1.507 . . . . 0.0 113.862 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -70.69 -9.68 57.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.703 0.801 . . . . 0.0 112.677 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.81 -22.35 35.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.487 1.04 . . . . 0.0 112.376 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.422 HG23 HD21 ' A' ' 97' ' ' LEU . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 94' ' ' LEU . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HB2' HD21 ' A' ' 94' ' ' LEU . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 120' ' ' LEU . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 HG23 ' A' ' 63' ' ' THR . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.506 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.506 HD12 HG23 ' A' ' 98' ' ' ILE . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 87' ' ' ALA . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.8 -36.09 62.09 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.65 -25.33 38.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.904 2.482 . . . . 0.0 113.89 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -102.63 -8.54 42.84 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.474 1.511 . . . . 0.0 114.781 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 75.7 mt -99.62 -73.83 0.62 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.129 1.772 . . . . 0.0 111.232 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.05 161.54 52.25 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.412 1.085 . . . . 0.0 112.451 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -69.26 153.68 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.614 2.209 . . . . 0.0 111.059 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -131.95 106.21 7.91 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.207 1.403 . . . . 0.0 110.976 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 C--O 1.256 1.403 0 C-N-CA 126.484 1.914 . . . . 0.0 112.501 176.92 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.76 166.67 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.458 2.772 . . . . 0.0 112.71 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.06 148.99 34.03 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.82 0.848 . . . . 0.0 112.444 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -122.45 -29.41 4.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.471 1.909 . . . . 0.0 113.803 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.61 78.76 4.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.722 1.609 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -93.15 171.22 9.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.344 1.058 . . . . 0.0 110.896 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -91.95 171.65 8.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.89 1.676 . . . . 0.0 111.735 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -11.74 59.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.778 1.231 . . . . 0.0 112.624 175.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -55.7 -30.4 61.05 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.197 -0.939 . . . . 0.0 113.351 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -54.99 -47.32 74.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.562 1.545 . . . . 0.0 112.765 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -78.33 -37.68 43.95 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.8 -0.563 . . . . 0.0 110.561 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.8 -29.87 65.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.736 1.214 . . . . 0.0 113.423 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.58 -47.78 80.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.253 1.421 . . . . 0.0 111.98 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.77 -24.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.419 1.088 . . . . 0.0 113.838 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.93 -23.32 61.27 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.013 1.725 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -60.63 -28.58 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 120.605 -1.31 . . . . 0.0 112.212 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.85 -26.34 68.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.61 1.164 . . . . 0.0 112.694 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -71.01 -54.44 11.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.293 1.437 . . . . 0.0 110.682 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -53.44 -29.8 37.32 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.631 1.572 . . . . 0.0 113.135 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -54.22 -21.85 10.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.683 1.193 . . . . 0.0 113.697 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -112.52 -77.44 0.58 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.612 1.965 . . . . 0.0 111.868 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 157.85 37.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.201 1.8 . . . . 0.0 112.836 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -78.24 127.79 32.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.593 1.157 . . . . 0.0 111.905 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -114.37 167.69 10.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.467 1.507 . . . . 0.0 111.778 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.58 -5.34 28.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.103 1.361 . . . . 0.0 113.888 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.33 -19.14 61.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.925 -1.11 . . . . 0.0 113.684 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.86 -22.7 62.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.117 1.367 . . . . 0.0 112.972 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.59 -18.53 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.661 1.584 . . . . 0.0 111.788 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.02 -25.54 65.38 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.538 -1.351 . . . . 0.0 112.777 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -18.26 63.65 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.698 1.599 . . . . 0.0 114.076 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.97 -22.06 46.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.125 1.37 . . . . 0.0 112.907 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -64.0 -18.27 64.14 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.098 -1.001 . . . . 0.0 112.71 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' HD22 ' A' ' 94' ' ' LEU . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 90' ' ' ARG . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 87' ' ' ALA . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 124' ' ' LEU . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 131' ' ' LEU . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' HG22 ' A' ' 71' ' ' VAL . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 64' ' ' PHE . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 98' ' ' ILE . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 68' ' ' ARG . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 75' ' ' LEU . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -53.23 -33.44 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -54.15 -27.56 34.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.022 1.729 . . . . 0.0 114.411 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -98.87 -11.65 45.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.873 1.225 . . . . 0.0 114.637 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 81' ' ' VAL . 34.4 mt -111.29 -75.22 0.62 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.065 1.746 . . . . 0.0 112.031 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.41 163.02 66.51 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.615 1.166 . . . . 0.0 112.678 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.02 176.32 9.25 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.271 2.648 . . . . 0.0 112.637 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -116.33 96.85 5.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.479 1.912 . . . . 0.0 110.456 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.695 1.598 . . . . 0.0 113.298 176.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 146.65 48.34 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.356 2.037 . . . . 0.0 111.7 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.0 166.29 24.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.472 1.509 . . . . 0.0 112.143 176.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 113.86 21.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.378 1.071 . . . . 0.0 110.783 175.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -95.76 -50.84 4.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.51 1.524 . . . . 0.0 111.819 175.003 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -69.83 -21.1 63.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -98.69 3.38 47.71 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.43 1.492 . . . . 0.0 113.565 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.36 -35.77 81.48 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.172 -0.955 . . . . 0.0 113.305 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.19 -39.58 48.28 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -33.48 66.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.532 -0.73 . . . . 0.0 112.675 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.26 -33.21 72.89 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.268 -0.895 . . . . 0.0 112.082 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.76 -23.44 67.37 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.135 0.974 . . . . 0.0 112.62 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.15 -34.65 78.55 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 112.052 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.27 -18.66 60.69 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.64 -40.49 92.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 111.046 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 t -66.6 -30.55 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.291 1.036 . . . . 0.0 112.079 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.64 -28.94 70.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.928 -1.107 . . . . 0.0 112.524 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -38.78 89.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.379 1.072 . . . . 0.0 112.286 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -58.06 -29.99 65.84 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.822 1.249 . . . . 0.0 112.902 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -64.51 -32.73 74.48 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.977 0.911 . . . . 0.0 112.429 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -84.6 -20.34 31.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.642 1.177 . . . . 0.0 113.923 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -67.16 154.22 41.79 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.757 1.223 . . . . 0.0 112.442 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -81.35 80.07 7.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.339 1.855 . . . . 0.0 111.794 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.02 163.83 32.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.618 1.567 . . . . 0.0 111.493 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.26 -2.72 57.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.073 0.949 . . . . 0.0 112.836 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.46 -21.17 65.24 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.854 1.262 . . . . 0.0 114.145 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.15 -22.36 58.18 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.19 -26.1 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.754 1.222 . . . . 0.0 111.212 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.9 -25.64 62.0 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.28 1.032 . . . . 0.0 113.191 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -79.25 -26.75 42.39 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.41 -28.29 67.79 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.604 1.162 . . . . 0.0 112.583 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -59.23 -21.62 59.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.433 1.093 . . . . 0.0 112.964 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.581 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 91' ' ' LEU . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 74' ' ' LEU . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 64' ' ' PHE . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD21 HG23 ' A' ' 63' ' ' THR . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.48 HG23 HD11 ' A' ' 110' ' ' LEU . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 98' ' ' ILE . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 102' ' ' VAL . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -53.71 -40.45 66.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -51.58 -29.89 18.88 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.316 1.446 . . . . 0.0 114.29 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.86 -29.51 6.86 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.657 1.123 . . . . 0.0 113.888 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.3 mt -80.41 -61.38 1.99 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.088 1.355 . . . . 0.0 113.143 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.26 77.05 5.23 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.753 2.021 . . . . 0.0 110.066 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.66 167.83 24.47 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.787 2.325 . . . . 0.0 111.316 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -73.91 159.07 33.31 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.237 1.015 . . . . 0.0 111.123 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.907 2.483 . . . . 0.0 113.189 177.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mtt . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.74 166.04 28.89 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.474 2.783 . . . . 0.0 112.46 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.29 136.54 35.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.785 0.834 . . . . 0.0 111.527 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -124.17 160.25 28.28 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.411 1.884 . . . . 0.0 110.71 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 6.89 31.3 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.193 1.797 . . . . 0.0 113.877 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -60.47 -28.47 68.36 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.79 1.636 . . . . 0.0 113.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -79.53 18.57 0.72 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.686 2.394 . . . . 0.0 115.418 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -53.36 -31.57 45.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.209 1.404 . . . . 0.0 114.504 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -81.58 -27.9 34.07 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.8 tm0? -65.4 -45.92 82.08 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.629 1.572 . . . . 0.0 111.13 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.72 -25.22 68.1 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.595 -0.69 . . . . 0.0 112.401 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -79.76 -11.82 59.82 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.02 -25.6 68.46 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.957 1.253 . . . . 0.0 111.74 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.63 -21.16 64.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.959 0.904 . . . . 0.0 113.229 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.03 -23.51 65.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.289 1.036 . . . . 0.0 113.041 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.65 -41.23 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.778 0.831 . . . . 0.0 109.337 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.87 -23.57 66.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.777 1.231 . . . . 0.0 113.666 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -50.52 -46.81 57.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.566 1.146 . . . . 0.0 112.075 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -62.76 -23.89 67.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.778 1.631 . . . . 0.0 113.666 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -92.47 -30.56 15.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.06 1.744 . . . . 0.0 112.777 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.88 -4.84 51.71 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.868 2.067 . . . . 0.0 112.943 175.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -49.5 131.75 20.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.431 1.492 . . . . 0.0 111.45 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -104.87 177.88 4.72 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.689 1.996 . . . . 0.0 111.126 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -58.5 157.18 9.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.334 1.453 . . . . 0.0 111.656 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -58.12 -19.4 32.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -67.87 -20.51 65.14 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.94 -11.86 57.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.573 1.149 . . . . 0.0 113.434 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.4 -21.73 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 111.304 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.41 -26.32 63.13 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.884 -1.135 . . . . 0.0 113.129 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -62.43 -17.72 60.0 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.962 1.705 . . . . 0.0 113.672 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -63.76 -18.2 63.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -59.82 -20.78 58.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.108 -0.995 . . . . 0.0 112.024 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.434 HG23 HD21 ' A' ' 97' ' ' LEU . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CD1' HD22 ' A' ' 94' ' ' LEU . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 94' ' ' LEU . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 87' ' ' ALA . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 131' ' ' LEU . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 64' ' ' PHE . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HG23 ' A' ' 63' ' ' THR . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 98' ' ' ILE . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -53.2 -36.98 61.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -22.79 62.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.75 -21.0 8.93 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.586 1.565 . . . . 0.0 114.276 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 84' ' ' LEU . 74.2 mt -92.7 -76.18 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.936 1.694 . . . . 0.0 112.302 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.98 137.15 87.29 Favored Pre-proline 0 CA--C 1.555 1.144 0 C-N-CA 126.153 1.781 . . . . 0.0 111.974 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.5 167.9 25.79 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.97 2.447 . . . . 0.0 112.334 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.55 127.1 35.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.991 . . . . 0.0 111.437 176.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 124.82 1.248 . . . . 0.0 113.341 175.003 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.01 -0.519 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.82 163.82 31.91 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.057 2.505 . . . . 0.0 112.222 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -105.52 143.31 33.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.978 1.311 . . . . 0.0 111.56 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -154.71 167.62 29.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.985 1.714 . . . . 0.0 111.5 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.22 7.85 15.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.444 1.898 . . . . 0.0 113.688 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -65.29 163.45 15.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.264 1.425 . . . . 0.0 112.685 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.67 1.33 50.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.874 1.67 . . . . 0.0 114.047 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -50.78 -32.92 21.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.031 1.732 . . . . 0.0 113.739 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.57 -30.99 69.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -74.4 -37.53 63.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.14 1.376 . . . . 0.0 111.653 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.82 -33.34 64.11 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.352 -0.843 . . . . 0.0 111.878 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -61.11 -19.53 61.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.452 1.501 . . . . 0.0 113.423 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -54.41 -49.09 70.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.507 1.123 . . . . 0.0 111.122 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.27 -29.65 68.49 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -70.51 -51.41 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 111.964 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.36 -30.79 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.598 -0.689 . . . . 0.0 112.618 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.01 -31.34 69.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.009 0.924 . . . . 0.0 113.395 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -66.49 -51.94 51.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.749 0.819 . . . . 0.0 110.716 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -58.04 -32.58 68.12 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -64.02 -24.14 67.6 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -92.02 -21.63 20.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.548 1.539 . . . . 0.0 113.726 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -76.14 139.06 41.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.667 1.587 . . . . 0.0 111.894 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -67.68 95.89 0.52 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.461 1.904 . . . . 0.0 112.46 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -143.57 166.39 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.561 1.944 . . . . 0.0 111.799 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -59.04 -25.83 64.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.083 0.953 . . . . 0.0 113.24 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.9 -15.51 63.01 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.52 -23.72 61.05 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.206 -0.933 . . . . 0.0 112.76 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 t -66.79 -26.41 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.839 1.256 . . . . 0.0 111.632 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.68 -22.85 67.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.263 1.025 . . . . 0.0 113.177 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -66.63 -20.27 65.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.174 1.39 . . . . 0.0 113.647 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.65 -32.3 65.23 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.28 1.032 . . . . 0.0 112.551 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -78.12 -45.1 24.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.974 0.91 . . . . 0.0 111.562 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 97' ' ' LEU . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 94' ' ' LEU . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 117' ' ' LEU . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 63' ' ' THR . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.704 HG23 HD21 ' A' ' 110' ' ' LEU . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 64' ' ' PHE . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -57.38 -31.97 66.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -58.25 -28.74 65.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.247 1.819 . . . . 0.0 113.737 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.02 -32.02 7.0 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.748 1.166 . . . . 0.0 113.73 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.42 -69.86 0.51 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.354 1.462 . . . . 0.0 112.539 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -72.95 136.76 79.64 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.943 1.297 . . . . 0.0 110.649 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.88 83.84 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.454 2.769 . . . . 0.0 112.132 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -68.15 140.28 56.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.837 1.255 . . . . 0.0 110.661 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.276 1.831 . . . . 0.0 110.365 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.046 -0.502 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.64 122.08 9.22 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.939 3.092 . . . . 0.0 112.378 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.06 -0.21 29.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.843 1.657 . . . . 0.0 114.099 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -64.74 -50.28 67.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.318 1.447 . . . . 0.0 112.883 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.05 139.57 39.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 112.301 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -100.69 98.81 9.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.464 1.505 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.2 15.41 25.15 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.358 1.863 . . . . 0.0 113.949 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -51.28 -39.76 57.48 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.268 1.427 . . . . 0.0 112.651 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.34 -38.11 89.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.769 1.228 . . . . 0.0 113.424 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -66.11 -43.19 87.95 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.252 1.021 . . . . 0.0 111.377 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.47 -43.9 88.84 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.636 -0.665 . . . . 0.0 110.216 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -60.4 -27.42 67.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.114 0.966 . . . . 0.0 113.479 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -59.37 -35.8 74.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.713 1.205 . . . . 0.0 112.06 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.7 mt -78.34 -27.59 47.06 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -80.11 -41.96 24.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.564 1.146 . . . . 0.0 112.794 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -37.12 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.285 -0.884 . . . . 0.0 111.093 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.18 -8.01 52.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.213 1.405 . . . . 0.0 114.333 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -97.23 -54.42 3.17 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.477 1.511 . . . . 0.0 109.469 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -62.23 -16.73 55.31 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.9 -39.54 71.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.991 1.316 . . . . 0.0 112.981 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -103.53 -19.45 14.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 114.317 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -71.81 160.9 31.79 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.611 1.165 . . . . 0.0 111.159 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.88 90.47 6.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 0.0 109.431 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -63.55 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.07 2.148 . . . . 0.0 113.1 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -66.11 0.13 2.13 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -57.33 -27.8 62.55 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.751 -1.218 . . . . 0.0 113.312 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.0 -23.5 65.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.041 1.336 . . . . 0.0 114.467 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.52 -31.9 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.748 1.219 . . . . 0.0 110.688 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.4 -19.36 65.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.93 0.892 . . . . 0.0 112.498 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -62.89 -26.45 68.8 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.085 0.954 . . . . 0.0 112.879 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -69.45 -38.35 77.75 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.729 1.212 . . . . 0.0 112.795 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -95.15 -38.75 10.45 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.666 1.186 . . . . 0.0 113.057 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 67' ' ' GLU . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HD21 ' A' ' 110' ' ' LEU . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.479 HD12 HG23 ' A' ' 98' ' ' ILE . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.488 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -56.88 -37.77 71.84 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -26.36 63.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.0 1.72 . . . . 0.0 114.395 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.12 -18.14 29.98 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.726 1.155 . . . . 0.0 114.136 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.2 mt -96.93 -68.62 0.79 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.39 1.876 . . . . 0.0 112.249 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -73.21 157.4 88.33 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.123 1.369 . . . . 0.0 112.767 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.32 119.05 5.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.614 2.876 . . . . 0.0 112.46 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -137.21 152.23 49.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.153 1.781 . . . . 0.0 110.863 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.787 2.035 . . . . 0.0 112.715 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.33 -0.367 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.84 -10.66 23.37 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.566 2.844 . . . . 0.0 114.353 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 59.84 22.12 11.05 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.752 2.021 . . . . 0.0 114.293 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -76.72 166.98 22.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.668 1.987 . . . . 0.0 113.267 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.3 mt -81.07 85.86 6.23 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.62 1.568 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -131.99 79.14 1.85 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.956 1.302 . . . . 0.0 111.097 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -141.69 155.48 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.09 1.756 . . . . 0.0 112.644 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.36 -24.47 67.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.588 1.155 . . . . 0.0 113.256 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -25.48 49.16 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.254 1.022 . . . . 0.0 112.726 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -60.18 -18.95 51.66 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.842 0.747 . . . . 0.0 112.353 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.57 -27.65 66.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.137 1.335 . . . . 0.0 111.46 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -15.2 34.08 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.47 1.108 . . . . 0.0 112.497 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.34 -24.96 61.34 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.718 0.807 . . . . 0.0 111.458 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.87 -20.26 49.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.5 1.12 . . . . 0.0 113.615 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -61.84 -23.49 66.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.62 1.168 . . . . 0.0 111.089 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -57.48 -28.65 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.026 0.93 . . . . 0.0 111.392 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -57.48 -28.46 63.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.387 1.075 . . . . 0.0 113.051 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -75.38 -56.17 4.98 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.561 1.144 . . . . 0.0 109.602 175.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.23 -18.69 65.34 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 113.887 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.4 73.25 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.194 1.798 . . . . 0.0 111.994 175.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -87.21 -19.96 27.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.901 1.281 . . . . 0.0 113.671 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -76.4 151.18 36.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.118 1.767 . . . . 0.0 111.513 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -80.02 82.89 6.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.077 0.951 . . . . 0.0 110.05 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -102.21 139.24 38.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.038 1.735 . . . . 0.0 109.409 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -57.41 -23.63 50.57 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.109 -0.995 . . . . 0.0 113.568 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -63.53 -20.96 66.05 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.863 1.265 . . . . 0.0 114.298 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.62 -15.85 63.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.177 0.991 . . . . 0.0 113.298 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.1 t -79.12 -23.18 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.945 1.298 . . . . 0.0 112.244 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.51 -23.89 67.19 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.788 -1.195 . . . . 0.0 112.766 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -59.82 -15.76 23.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.701 2.001 . . . . 0.0 113.438 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.8 -27.0 69.01 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.959 0.904 . . . . 0.0 111.258 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.95 -18.4 65.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.289 1.036 . . . . 0.0 112.801 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.407 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB2' HD21 ' A' ' 94' ' ' LEU . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 90' ' ' ARG . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 HG23 ' A' ' 63' ' ' THR . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.588 HG21 HE22 ' A' ' 114' ' ' GLN . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 98' ' ' ILE . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.588 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -37.61 50.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -55.4 -23.54 25.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.152 2.181 . . . . 0.0 114.643 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.8 4.75 42.61 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.418 1.961 . . . . 0.0 114.705 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -128.0 -70.6 0.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.811 2.044 . . . . 0.0 111.592 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -67.84 130.48 92.87 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.97 1.308 . . . . 0.0 109.357 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.53 168.21 18.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.34 2.027 . . . . 0.0 112.446 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 174.01 7.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.518 1.927 . . . . 0.0 111.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.828 1.651 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 119.15 -0.453 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.48 88.18 0.51 Allowed 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 124.207 3.271 . . . . 0.0 112.221 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -143.93 138.43 28.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.28 1.832 . . . . 0.0 110.679 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.98 121.27 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.791 1.237 . . . . 0.0 110.558 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -95.58 164.78 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.388 1.875 . . . . 0.0 111.6 175.438 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -126.51 171.09 11.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.995 1.718 . . . . 0.0 112.107 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -62.47 135.04 57.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.264 1.425 . . . . 0.0 112.21 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -64.18 -38.62 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.451 0.7 . . . . 0.0 112.526 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.09 -31.16 62.98 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -71.56 -48.77 46.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.356 1.062 . . . . 0.0 111.307 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.48 -38.1 88.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.317 -0.865 . . . . 0.0 111.951 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -58.57 -20.09 43.84 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -53.79 25.0 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.731 0.812 . . . . 0.0 109.095 175.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.86 -26.41 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -58.29 -19.58 35.75 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.615 1.166 . . . . 0.0 113.676 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.57 -41.55 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.823 0.738 . . . . 0.0 111.187 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -66.61 -35.07 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.505 1.122 . . . . 0.0 112.473 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -63.17 -60.74 3.01 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.084 0.954 . . . . 0.0 109.796 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -58.1 -37.21 74.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.104 0.961 . . . . 0.0 113.132 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -58.72 -24.04 60.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.63 1.572 . . . . 0.0 114.516 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.51 -10.92 14.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.394 1.477 . . . . 0.0 113.769 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -66.9 156.03 36.85 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.39 1.476 . . . . 0.0 111.363 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -105.18 25.83 10.1 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.203 2.201 . . . . 0.0 114.044 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -61.07 145.84 49.43 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.382 1.473 . . . . 0.0 112.415 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -59.39 -25.98 64.74 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -68.04 -17.15 64.32 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.68 -18.12 42.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.771 1.228 . . . . 0.0 112.448 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.31 -22.51 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.17 0.988 . . . . 0.0 111.223 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.79 -22.77 62.63 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.982 -1.074 . . . . 0.0 113.48 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.32 -18.67 63.84 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.766 1.226 . . . . 0.0 113.236 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -79.47 -16.18 56.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.331 1.053 . . . . 0.0 113.166 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.97 -16.51 59.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.94 -1.1 . . . . 0.0 112.997 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.457 HG23 HD21 ' A' ' 97' ' ' LEU . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' HD22 ' A' ' 94' ' ' LEU . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 90' ' ' ARG . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 124' ' ' LEU . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD13 HD12 ' A' ' 131' ' ' LEU . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 71' ' ' VAL . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 67' ' ' GLU . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 63' ' ' THR . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 105' ' ' LEU . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 HG23 ' A' ' 98' ' ' ILE . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.531 HD13 ' HB ' ' A' ' 71' ' ' VAL . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 75' ' ' LEU . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -57.36 -33.3 67.65 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -21.35 60.32 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.512 1.125 . . . . 0.0 113.815 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.93 -39.99 2.22 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.6 1.572 . . . . 0.0 112.799 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 84' ' ' LEU . 59.8 mt -79.2 -58.31 3.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.984 1.314 . . . . 0.0 113.957 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.08 68.41 36.0 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.634 1.574 . . . . 0.0 111.02 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -65.61 115.17 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.448 2.766 . . . . 0.0 112.005 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.08 10.61 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.369 1.468 . . . . 0.0 114.568 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.694 2.397 . . . . 0.0 111.741 -177.241 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.13 145.63 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.936 2.424 . . . . 0.0 112.022 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -147.04 159.85 43.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.794 1.638 . . . . 0.0 111.439 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.09 -68.28 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.798 1.639 . . . . 0.0 111.005 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.95 100.8 0.17 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.662 1.585 . . . . 0.0 111.358 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -56.54 148.95 18.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.601 1.16 . . . . 0.0 112.617 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -113.58 157.79 21.62 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.217 1.807 . . . . 0.0 111.034 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -57.76 -27.09 62.74 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.865 1.266 . . . . 0.0 113.157 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.14 -20.89 44.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.857 1.663 . . . . 0.0 113.07 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.05 -26.91 67.96 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.048 -1.033 . . . . 0.0 112.071 174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.89 -43.76 52.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.391 1.076 . . . . 0.0 110.29 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.55 -14.83 62.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.41 1.084 . . . . 0.0 112.642 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -27.44 65.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.597 1.159 . . . . 0.0 111.486 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.35 -20.39 66.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.324 1.049 . . . . 0.0 113.458 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.97 -24.76 24.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.941 1.296 . . . . 0.0 111.618 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.67 -24.55 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.546 1.139 . . . . 0.0 111.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -57.09 -28.04 62.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -73.16 -54.2 9.06 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -65.92 -27.65 68.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 112.935 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -62.82 -24.44 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.371 1.868 . . . . 0.0 113.458 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -77.83 -20.79 52.53 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.588 1.155 . . . . 0.0 112.931 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.17 163.85 15.25 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.369 1.468 . . . . 0.0 110.75 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -81.34 29.52 0.36 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.866 2.066 . . . . 0.0 112.92 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.57 167.19 13.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.595 1.558 . . . . 0.0 112.158 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -60.36 -22.81 63.72 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.611 -1.306 . . . . 0.0 113.284 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -66.12 -18.71 65.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.97 -24.78 63.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.441 0.696 . . . . 0.0 112.633 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.05 -30.61 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.819 1.247 . . . . 0.0 112.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.65 -28.1 69.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.35 -0.844 . . . . 0.0 112.827 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -19.87 66.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.592 1.557 . . . . 0.0 113.904 177.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -59.85 -27.67 66.86 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 112.57 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.01 -14.5 62.96 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.912 0.885 . . . . 0.0 113.296 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 94' ' ' LEU . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.592 ' HB2' HD21 ' A' ' 94' ' ' LEU . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 120' ' ' LEU . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 120' ' ' LEU . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 67' ' ' GLU . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.546 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.54 HG23 HD21 ' A' ' 110' ' ' LEU . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 98' ' ' ILE . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.54 HD21 HG23 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 94' ' ' LEU . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 71' ' ' VAL . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.4 -41.81 73.2 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -57.98 -32.57 67.99 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.65 1.18 . . . . 0.0 113.92 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.81 -26.91 30.6 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.16 0.886 . . . . 0.0 113.921 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 67.8 mt -85.63 -69.69 0.64 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.862 1.665 . . . . 0.0 112.964 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -71.35 131.28 86.78 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.243 1.417 . . . . 0.0 110.988 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.97 105.03 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.088 2.525 . . . . 0.0 111.357 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -124.31 132.15 53.55 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.821 2.049 . . . . 0.0 110.579 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.305 1.842 . . . . 0.0 110.911 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.45 77.52 3.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.855 3.037 . . . . 0.0 112.279 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.83 130.92 44.96 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.158 -0.964 . . . . 0.0 111.092 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -126.1 130.9 52.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.686 1.595 . . . . 0.0 110.871 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.55 136.98 58.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.223 1.009 . . . . 0.0 111.499 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -94.05 -14.91 25.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.006 0.922 . . . . 0.0 112.527 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -138.14 114.62 10.41 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.592 2.357 . . . . 0.0 111.334 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -25.46 66.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 175.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.3 -25.59 64.27 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 113.015 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -58.6 -32.6 69.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.12 -45.06 96.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.989 0.916 . . . . 0.0 111.974 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -78.13 -30.06 49.17 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.718 0.807 . . . . 0.0 112.89 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -62.68 -33.06 74.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.253 1.421 . . . . 0.0 112.622 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -54.72 -25.16 25.67 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.885 1.274 . . . . 0.0 114.345 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -61.55 -49.12 77.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.74 1.216 . . . . 0.0 111.929 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -82.79 -28.34 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.382 1.073 . . . . 0.0 111.406 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.37 -22.81 54.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.44 1.096 . . . . 0.0 112.581 175.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.21 -41.45 93.06 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.399 1.479 . . . . 0.0 110.665 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -65.68 -26.76 67.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.424 1.089 . . . . 0.0 111.968 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -76.74 -34.48 58.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.791 0.837 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -89.8 -15.23 32.78 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -31.15 71.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.535 1.134 . . . . 0.0 113.098 175.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -69.62 143.0 53.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.255 1.822 . . . . 0.0 110.496 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 41.2 69.91 0.31 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.896 2.079 . . . . 0.0 114.594 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -64.71 -12.33 45.61 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.446 -0.784 . . . . 0.0 112.422 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -64.67 -20.31 66.23 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.29 -21.95 48.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.738 1.615 . . . . 0.0 112.844 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.35 -22.91 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.909 1.284 . . . . 0.0 111.708 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.16 -19.97 49.69 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.24 -22.06 66.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.202 1.001 . . . . 0.0 112.314 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.6 -24.68 67.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.189 1.396 . . . . 0.0 113.273 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -61.51 -34.69 75.93 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.527 -0.733 . . . . 0.0 111.288 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' HD11 ' A' ' 120' ' ' LEU . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HB3' HG22 ' A' ' 71' ' ' VAL . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 67' ' ' GLU . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.643 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.426 HG23 HD11 ' A' ' 110' ' ' LEU . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 98' ' ' ILE . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 102' ' ' VAL . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.402 ' OE1' HG21 ' A' ' 98' ' ' ILE . 1.2 mp0 -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 94' ' ' LEU . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -53.17 -39.43 63.61 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -55.58 -23.38 26.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.301 1.44 . . . . 0.0 114.079 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.33 -3.23 38.28 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.877 1.703 . . . . 0.0 115.129 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.07 -74.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.698 1.999 . . . . 0.0 112.352 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -115.55 78.7 6.77 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.532 1.933 . . . . 0.0 110.496 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.19 80.97 2.08 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.986 3.124 . . . . 0.0 110.999 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -131.33 144.75 51.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.456 1.903 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.149 2.18 . . . . 0.0 112.784 -178.666 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.73 159.65 45.16 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.954 2.436 . . . . 0.0 112.587 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.16 75.32 3.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.263 1.025 . . . . 0.0 111.639 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -69.66 163.13 26.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.892 1.277 . . . . 0.0 112.577 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -41.7 6.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.333 1.853 . . . . 0.0 112.395 178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -68.14 134.9 51.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.896 0.878 . . . . 0.0 110.176 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 54.29 18.04 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.709 2.004 . . . . 0.0 114.932 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -60.47 -46.89 88.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.713 1.605 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.55 -26.19 68.45 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -70.26 -24.63 63.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.143 0.977 . . . . 0.0 112.126 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.73 -34.6 76.09 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 110.452 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.97 -21.12 58.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 113.431 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -63.16 -48.99 76.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.286 1.435 . . . . 0.0 111.725 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -82.31 -21.48 36.08 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.96 -26.56 67.63 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.201 1.0 . . . . 0.0 112.055 174.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.34 -38.35 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 120.991 -1.068 . . . . 0.0 111.063 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -26.82 68.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.088 0.955 . . . . 0.0 112.797 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.968 1.307 . . . . 0.0 110.454 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.4 ttm-85 -74.66 -27.5 60.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.8 0.84 . . . . 0.0 111.674 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -79.18 -33.19 44.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -78.68 -29.0 45.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -179.63 6.67 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.223 1.809 . . . . 0.0 111.529 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -50.08 148.3 3.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.046 1.338 . . . . 0.0 112.356 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -76.64 68.39 2.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.156 0.979 . . . . 0.0 112.678 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.19 -23.98 67.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.058 -1.026 . . . . 0.0 111.857 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -67.86 -26.21 65.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.59 -32.03 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.283 1.833 . . . . 0.0 112.926 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -67.96 -38.55 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 110.991 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.33 -24.15 64.79 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -62.2 -17.79 59.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.136 0.975 . . . . 0.0 113.348 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.53 -29.05 46.26 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.229 -0.919 . . . . 0.0 112.707 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.7 -38.65 6.33 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.293 1.437 . . . . 0.0 112.974 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 94' ' ' LEU . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CB ' HD21 ' A' ' 94' ' ' LEU . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 71' ' ' VAL . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 67' ' ' GLU . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 105' ' ' LEU . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 98' ' ' ILE . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 124' ' ' LEU . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.15 -45.37 68.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -67.49 -29.42 68.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.117 2.567 . . . . 0.0 112.725 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.93 -16.44 63.26 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.337 0.97 . . . . 0.0 113.145 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 37.7 mt -89.42 -62.61 1.44 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.286 2.235 . . . . 0.0 112.707 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.99 153.14 24.83 Favored Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.67 112.72 2.95 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.944 3.096 . . . . 0.0 112.188 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -84.75 1.33 47.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.791 1.636 . . . . 0.0 114.024 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.817 2.447 . . . . 0.0 112.234 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.6 ptt? . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.56 161.57 42.93 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.24 2.627 . . . . 0.0 112.536 174.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.72 47.99 1.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.921 1.288 . . . . 0.0 113.142 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -54.16 -55.17 30.42 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.15 1.38 . . . . 0.0 113.338 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.0 116.23 19.18 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.252 1.021 . . . . 0.0 111.17 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -67.21 128.18 35.41 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 123.521 0.728 . . . . 0.0 109.999 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -127.3 142.75 51.38 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.626 1.571 . . . . 0.0 111.578 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -22.19 66.51 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.97 0.908 . . . . 0.0 111.621 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -63.39 -26.75 68.89 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.518 0.727 . . . . 0.0 109.692 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.61 -35.07 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.767 1.167 . . . . 0.0 112.228 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.24 -47.3 80.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.715 0.806 . . . . 0.0 111.188 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -67.34 -31.33 71.52 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 123.651 0.78 . . . . 0.0 112.23 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.4 -20.23 53.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.098 0.863 . . . . 0.0 112.917 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -69.3 -52.96 22.24 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.166 1.387 . . . . 0.0 112.111 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 p -72.55 -28.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.355 -0.841 . . . . 0.0 112.102 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.302 5.8 tm-20 -55.19 -25.78 34.91 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 127.217 2.207 . . . . 0.0 110.544 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -71.87 -31.08 66.09 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 103.599 -2.741 . . . . 0.0 103.599 -170.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.89 -23.15 62.24 Favored 'General case' 0 CA--C 1.456 -2.657 0 CA-C-N 120.718 1.599 . . . . 0.0 109.921 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -67.3 -35.53 79.64 Favored 'General case' 0 CA--C 1.463 -2.399 0 O-C-N 118.083 -2.886 . . . . 0.0 108.862 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.75 -18.15 64.79 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 118.089 -2.882 . . . . 0.0 113.439 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -90.26 -7.89 52.32 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.763 1.625 . . . . 0.0 113.32 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -70.47 175.43 4.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 111.09 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.97 149.48 40.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.783 1.233 . . . . 0.0 112.229 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -63.14 -4.43 2.39 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -59.38 -23.23 62.4 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.09 -16.51 59.9 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.62 -22.13 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.381 1.472 . . . . 0.0 110.714 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -62.59 -24.26 67.47 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 121.067 -1.021 . . . . 0.0 110.999 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -21.43 59.92 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.968 1.707 . . . . 0.0 113.549 176.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.24 -20.12 65.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.773 1.229 . . . . 0.0 112.656 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -63.86 -24.57 67.8 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 120' ' ' LEU . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.43 ' HA ' HD22 ' A' ' 131' ' ' LEU . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 67' ' ' GLU . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 98' ' ' ILE . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 68' ' ' ARG . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -49.58 -47.75 49.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -55.09 -32.52 62.05 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.749 1.159 . . . . 0.0 113.952 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.15 -31.95 15.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.371 0.986 . . . . 0.0 113.691 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 80' ' ' SER . 87.2 mt -81.66 -70.01 0.57 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.102 1.761 . . . . 0.0 112.52 -178.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -86.0 134.19 39.6 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.403 1.481 . . . . 0.0 111.945 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.35 149.9 70.05 Favored 'Trans proline' 0 CA--C 1.553 1.438 0 C-N-CA 122.119 1.879 . . . . 0.0 110.021 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.04 147.72 52.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.287 1.035 . . . . 0.0 111.633 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 C--O 1.259 1.597 0 C-N-CA 126.641 1.977 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.37 155.8 50.79 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.133 2.555 . . . . 0.0 112.072 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -141.08 132.16 26.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.607 1.563 . . . . 0.0 110.413 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -140.49 170.5 15.68 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.273 1.829 . . . . 0.0 111.92 -176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.59 168.83 15.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.572 1.149 . . . . 0.0 110.731 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -136.42 168.31 19.69 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.977 1.311 . . . . 0.0 111.823 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -111.82 14.51 21.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.971 1.708 . . . . 0.0 113.053 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -47.78 -30.39 3.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.008 2.123 . . . . 0.0 113.629 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.01 -52.54 62.82 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 112.42 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.22 -40.5 37.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 111.779 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -25.13 66.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.442 0.697 . . . . 0.0 112.321 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -54.52 -28.01 42.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.119 1.367 . . . . 0.0 113.572 175.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.42 -40.47 81.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.842 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.72 -21.96 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.258 1.023 . . . . 0.0 113.446 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -57.77 -32.61 67.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.385 1.474 . . . . 0.0 112.681 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.74 -31.32 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.508 1.123 . . . . 0.0 112.569 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -79.82 -31.75 40.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.692 1.197 . . . . 0.0 111.708 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.22 -45.57 80.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.7 1.2 . . . . 0.0 110.698 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -52.43 -28.45 20.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.196 1.398 . . . . 0.0 114.109 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -32.1 68.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.372 1.069 . . . . 0.0 112.722 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -105.79 5.26 30.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.233 2.213 . . . . 0.0 114.314 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.25 178.74 0.36 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.612 1.565 . . . . 0.0 111.184 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.21 178.68 0.09 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.545 1.938 . . . . 0.0 111.32 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -50.49 157.35 0.74 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.145 0.978 . . . . 0.0 112.277 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -53.83 -18.05 2.94 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -25.07 67.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.99 1.316 . . . . 0.0 113.822 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -80.03 -12.63 59.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.994 1.317 . . . . 0.0 113.439 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.68 -21.87 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.957 0.903 . . . . 0.0 110.896 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -55.5 -25.02 34.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.366 1.067 . . . . 0.0 113.877 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -59.78 -20.42 56.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.007 1.323 . . . . 0.0 112.867 175.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.3 -14.15 54.28 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.886 1.274 . . . . 0.0 113.026 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -55.35 -22.2 18.4 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.125 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB2' HD21 ' A' ' 94' ' ' LEU . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 131' ' ' LEU . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' HD11 ' A' ' 117' ' ' LEU . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 110' ' ' LEU . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 107' ' ' ALA . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 94' ' ' LEU . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 68' ' ' ARG . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -52.45 -42.17 63.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -56.14 -29.05 60.21 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.496 1.518 . . . . 0.0 114.748 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.58 -32.13 7.87 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.158 0.885 . . . . 0.0 113.776 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 84' ' ' LEU . 56.4 mt -80.74 -75.77 0.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.21 163.73 66.25 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.089 1.356 . . . . 0.0 112.754 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.79 162.38 41.31 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.025 2.483 . . . . 0.0 112.898 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.42 163.26 28.29 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.13 1.372 . . . . 0.0 111.942 174.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.771 1.228 . . . . 0.0 111.379 175.07 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.894 -0.098 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.09 95.32 1.02 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.738 2.959 . . . . 0.0 112.376 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -151.39 115.13 4.91 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.238 -0.913 . . . . 0.0 111.837 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -121.57 114.36 21.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.534 1.534 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 mt -92.74 126.11 37.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.205 1.402 . . . . 0.0 110.765 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -113.39 20.98 15.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.203 1.801 . . . . 0.0 112.259 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.07 149.99 46.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.705 1.602 . . . . 0.0 111.577 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -56.12 -28.18 56.88 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.843 1.257 . . . . 0.0 113.304 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -27.28 64.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.753 1.221 . . . . 0.0 112.409 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -57.42 -20.54 30.7 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.431 1.092 . . . . 0.0 112.891 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -59.68 -25.38 64.7 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.796 -1.19 . . . . 0.0 111.269 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -61.86 -15.38 41.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.211 1.404 . . . . 0.0 112.805 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.99 -24.45 58.2 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.815 0.846 . . . . 0.0 111.347 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.09 -21.63 61.74 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.279 0.945 . . . . 0.0 113.477 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -17.89 62.72 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.967 1.307 . . . . 0.0 111.244 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.77 -28.14 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.625 1.17 . . . . 0.0 112.044 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.93 -23.62 63.67 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.198 -0.939 . . . . 0.0 113.532 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -74.78 -52.05 12.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.331 1.452 . . . . 0.0 110.926 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -68.66 -24.65 64.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -56.43 -31.9 64.36 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.925 1.239 . . . . 0.0 113.383 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -84.14 -15.98 45.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -95.6 5.67 50.88 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.608 2.363 . . . . 0.0 113.828 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -55.86 162.84 1.64 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.482 1.513 . . . . 0.0 111.197 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.68 157.63 5.23 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.802 1.241 . . . . 0.0 111.792 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -55.62 -21.33 17.21 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.879 -1.138 . . . . 0.0 113.29 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.65 -18.24 63.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.689 1.596 . . . . 0.0 114.23 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -24.01 62.46 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.239 -0.913 . . . . 0.0 113.149 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.6 t -72.61 -18.28 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.072 1.349 . . . . 0.0 111.838 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.76 -17.92 57.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.732 -1.23 . . . . 0.0 113.594 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.76 -25.13 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.946 -1.096 . . . . 0.0 113.367 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.13 -50.0 75.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.605 1.162 . . . . 0.0 111.8 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -70.72 -41.41 71.93 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.033 0.533 . . . . 0.0 111.986 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 HD21 ' A' ' 97' ' ' LEU . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 91' ' ' LEU . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.869 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 64' ' ' PHE . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 105' ' ' LEU . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 98' ' ' ILE . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 91' ' ' LEU . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -51.1 -40.99 59.7 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -53.19 -35.55 59.97 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.65 -25.37 30.32 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 123.774 0.702 . . . . 0.0 113.904 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 79.1 mt -78.86 -65.09 1.04 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.779 . . . . 0.0 112.851 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -66.74 160.52 67.88 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.12 1.368 . . . . 0.0 112.028 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.49 177.57 6.61 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 123.661 2.907 . . . . 0.0 112.409 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -56.89 108.03 0.46 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.286 1.434 . . . . 0.0 111.026 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.723 1.609 . . . . 0.0 113.482 177.591 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.99 -17.46 19.55 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.138 2.558 . . . . 0.0 113.611 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -118.8 116.89 27.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.685 1.594 . . . . 0.0 110.737 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -72.8 174.9 7.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.188 1.795 . . . . 0.0 112.113 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.7 131.43 43.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.667 0.787 . . . . 0.0 111.019 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -110.21 89.89 3.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.583 1.553 . . . . 0.0 108.472 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 55.02 16.19 1.43 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.021 2.128 . . . . 0.0 115.333 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.91 -25.61 43.81 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.313 2.245 . . . . 0.0 113.83 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.32 -41.82 80.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.756 1.222 . . . . 0.0 111.813 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.64 -31.5 61.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.745 1.218 . . . . 0.0 112.443 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.58 -56.7 10.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.872 0.869 . . . . 0.0 110.782 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -16.3 63.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -56.72 -33.91 66.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.602 1.161 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.4 -26.58 66.51 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.94 -25.43 34.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.685 1.594 . . . . 0.0 112.213 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.7 -39.69 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.835 0.854 . . . . 0.0 109.832 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -64.63 -29.42 70.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.596 1.159 . . . . 0.0 113.617 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -76.42 -39.38 53.66 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.195 1.398 . . . . 0.0 111.963 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -67.33 -29.01 68.46 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.087 0.858 . . . . 0.0 113.251 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.16 -23.77 49.73 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.006 1.322 . . . . 0.0 114.535 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -71.74 -16.82 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 -171.47 2.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.746 2.418 . . . . 0.0 111.407 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -62.97 106.95 0.9 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.394 1.478 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.1 123.94 16.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.375 1.47 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -61.23 -27.97 68.82 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.987 -1.071 . . . . 0.0 113.027 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.28 -19.51 65.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.98 -17.1 61.04 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.966 0.906 . . . . 0.0 112.522 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.89 -23.09 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.509 1.124 . . . . 0.0 112.049 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.9 -22.85 64.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.941 -1.1 . . . . 0.0 113.15 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -61.55 -15.81 42.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.166 2.187 . . . . 0.0 113.506 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -57.14 -32.23 66.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 0.0 112.538 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -81.2 -24.57 37.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.801 1.241 . . . . 0.0 112.93 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' A' ' 123' ' ' ALA . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.66 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 98' ' ' ILE . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 98' ' ' ILE . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.738 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -54.42 -46.05 73.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -27.48 59.91 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.03 1.732 . . . . 0.0 114.641 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 -3.15 55.1 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.807 1.67 . . . . 0.0 114.342 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.77 -74.62 0.62 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.704 2.002 . . . . 0.0 110.8 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -78.58 133.75 62.61 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.336 1.455 . . . . 0.0 111.058 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.83 157.59 57.88 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.598 2.199 . . . . 0.0 112.232 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -95.45 156.48 16.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.779 1.232 . . . . 0.0 111.367 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.159 1.384 . . . . 0.0 112.085 175.531 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.31 119.58 6.23 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.994 2.463 . . . . 0.0 111.968 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.18 146.22 39.79 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.623 0.769 . . . . 0.0 111.592 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 160.26 25.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.329 1.052 . . . . 0.0 111.653 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.61 -33.04 74.72 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.88 0.872 . . . . 0.0 112.653 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -68.72 121.79 17.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.286 1.034 . . . . 0.0 111.352 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.64 34.4 1.07 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.077 1.751 . . . . 0.0 114.072 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.19 4.93 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -177.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -22.02 36.71 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.031 1.332 . . . . 0.0 112.419 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.32 -26.64 65.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.313 1.045 . . . . 0.0 112.094 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.92 -53.53 20.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.444 1.097 . . . . 0.0 109.533 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -57.62 -16.15 9.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.717 1.207 . . . . 0.0 114.249 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.36 -20.55 59.91 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.045 0.938 . . . . 0.0 111.379 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.89 -24.3 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.596 1.158 . . . . 0.0 113.417 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -86.37 -29.52 22.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.507 1.523 . . . . 0.0 111.621 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.67 -51.49 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.965 0.906 . . . . 0.0 110.438 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -24.95 64.37 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -64.53 -53.5 46.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.956 1.702 . . . . 0.0 111.426 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -77.65 -33.72 53.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 112.265 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -60.91 -20.62 62.33 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.933 1.242 . . . . 0.0 113.653 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -67.92 -20.61 65.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.822 0.849 . . . . 0.0 113.035 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.28 141.23 37.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.643 1.577 . . . . 0.0 110.34 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.4 141.03 55.55 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.878 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -157.7 174.44 15.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.402 1.881 . . . . 0.0 111.061 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.59 -28.79 33.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.634 0.774 . . . . 0.0 110.981 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -74.66 -22.46 58.87 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.55 -26.9 60.26 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.37 -22.47 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.914 1.285 . . . . 0.0 111.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.15 -21.23 64.92 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.791 -1.193 . . . . 0.0 113.465 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -29.39 59.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.454 1.102 . . . . 0.0 113.224 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.17 -17.97 65.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.747 1.219 . . . . 0.0 113.127 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.29 -35.32 80.67 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.014 -1.054 . . . . 0.0 111.057 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 HD21 ' A' ' 97' ' ' LEU . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB2' HD21 ' A' ' 94' ' ' LEU . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' PHE . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 98' ' ' ILE . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 124' ' ' LEU . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -51.7 -39.6 58.63 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -57.94 -24.89 59.84 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.22 -17.46 27.03 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.438 1.018 . . . . 0.0 114.327 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.19 -66.28 0.93 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.222 1.809 . . . . 0.0 112.54 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -64.89 133.96 95.91 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.927 1.291 . . . . 0.0 110.531 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.3 99.09 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.251 2.634 . . . . 0.0 110.895 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 153.46 21.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.649 0.779 . . . . 0.0 112.787 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.376 1.87 . . . . 0.0 112.63 -177.371 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 48.8 mtt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.49 -26.63 28.63 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.463 2.775 . . . . 0.0 113.489 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -134.75 164.86 26.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.932 2.093 . . . . 0.0 110.483 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -146.82 166.93 25.19 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 111.075 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt 50.87 25.2 2.07 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.218 2.207 . . . . 0.0 114.802 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -64.41 148.44 50.48 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.868 1.267 . . . . 0.0 113.498 -171.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -85.83 -3.99 59.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.931 1.692 . . . . 0.0 113.426 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -53.98 -46.37 71.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.273 2.229 . . . . 0.0 113.023 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.86 -40.35 95.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.019 0.528 . . . . 0.0 111.879 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.15 -40.36 93.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.245 1.018 . . . . 0.0 112.163 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -67.24 -49.13 65.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.589 0.756 . . . . 0.0 110.547 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.99 -35.13 77.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.241 1.016 . . . . 0.0 113.378 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.23 -43.01 92.37 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.608 1.963 . . . . 0.0 112.126 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.26 -32.01 72.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -75.08 -50.56 16.04 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.954 1.302 . . . . 0.0 112.33 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.39 -34.86 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.343 -0.848 . . . . 0.0 111.863 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.39 -36.86 74.18 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.422 -0.799 . . . . 0.0 112.736 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -66.84 -44.23 81.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.305 1.842 . . . . 0.0 112.591 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.61 -26.96 62.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.808 0.843 . . . . 0.0 113.149 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -77.55 -11.78 59.89 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.087 1.755 . . . . 0.0 115.087 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.08 -21.86 66.7 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.878 1.217 . . . . 0.0 114.133 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 169.28 9.09 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.356 2.262 . . . . 0.0 111.718 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -80.92 117.32 21.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 111.679 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -85.74 155.16 21.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.533 1.133 . . . . 0.0 110.728 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -77.78 -6.12 53.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.42 -14.66 29.95 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.32 -20.71 62.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.579 1.152 . . . . 0.0 113.471 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.58 -24.05 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.54 1.136 . . . . 0.0 111.878 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.63 -23.34 65.35 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.727 -1.233 . . . . 0.0 113.289 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.03 -10.46 58.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -59.6 -32.66 70.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.215 -0.928 . . . . 0.0 110.935 175.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -79.33 -45.51 19.49 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.548 175.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 71' ' ' VAL . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 98' ' ' ILE . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.22 -33.09 72.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.65 -30.79 67.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.279 1.032 . . . . 0.0 113.755 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.27 -26.09 22.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.113 0.863 . . . . 0.0 114.259 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 69.7 mt -84.08 -59.56 2.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.262 1.425 . . . . 0.0 113.041 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -61.18 136.14 93.8 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.729 1.212 . . . . 0.0 111.096 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.04 151.78 73.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.649 2.232 . . . . 0.0 112.222 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -80.42 114.48 19.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.734 1.213 . . . . 0.0 110.599 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.127 1.771 . . . . 0.0 112.841 177.642 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.5 mtp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.91 175.13 11.62 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.52 2.814 . . . . 0.0 112.924 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -123.94 -49.15 1.86 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.013 1.325 . . . . 0.0 112.673 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -61.89 137.34 58.24 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.918 0.887 . . . . 0.0 112.186 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.84 -40.25 5.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.603 1.961 . . . . 0.0 112.398 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.72 85.95 4.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.195 0.998 . . . . 0.0 110.829 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -143.27 141.59 31.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.168 1.387 . . . . 0.0 111.116 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -26.01 68.55 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.983 1.313 . . . . 0.0 113.275 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.95 -34.43 22.46 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.593 0.757 . . . . 0.0 112.698 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -58.2 -44.94 88.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.572 1.078 . . . . 0.0 111.501 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -63.45 -26.93 68.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -82.37 -28.77 31.3 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.663 1.185 . . . . 0.0 113.441 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.0 -25.37 68.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.197 1.399 . . . . 0.0 112.899 175.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.26 -27.55 65.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.23 -35.58 81.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.793 1.237 . . . . 0.0 111.746 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 t -81.84 -36.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.038 1.335 . . . . 0.0 111.303 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -57.77 -27.16 62.8 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.242 -0.911 . . . . 0.0 113.352 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -54.47 -38.26 66.19 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.781 1.632 . . . . 0.0 112.741 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.68 -35.05 45.71 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.97 1.708 . . . . 0.0 112.582 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -69.45 -31.65 70.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 0.0 112.937 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.7 -17.66 49.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.88 1.672 . . . . 0.0 114.038 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -69.29 -19.26 63.9 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.413 1.485 . . . . 0.0 113.922 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -71.82 -177.04 1.83 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.171 1.789 . . . . 0.0 111.312 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.04 115.5 2.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.003 1.321 . . . . 0.0 112.062 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.87 -14.35 61.06 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -62.0 -18.8 61.69 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.59 -23.28 66.8 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 175.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.14 -18.71 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 124.655 1.182 . . . . 0.0 111.817 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -60.52 -33.35 72.51 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.468 -1.395 . . . . 0.0 112.289 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -62.49 -30.44 71.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.089 1.755 . . . . 0.0 114.274 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.8 -43.29 99.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.658 1.183 . . . . 0.0 111.23 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -76.27 -36.24 58.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.501 1.12 . . . . 0.0 112.764 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HD21 ' A' ' 97' ' ' LEU . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 90' ' ' ARG . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 123' ' ' ALA . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HB3' HG22 ' A' ' 71' ' ' VAL . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 64' ' ' PHE . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 63' ' ' THR . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG23 HD21 ' A' ' 110' ' ' LEU . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.403 HD13 ' HB ' ' A' ' 71' ' ' VAL . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -50.04 -41.29 47.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -55.52 -28.32 54.03 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.45 -26.02 8.41 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.933 1.254 . . . . 0.0 114.362 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.8 mt -82.14 -73.31 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.493 1.517 . . . . 0.0 112.514 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -79.46 133.91 59.08 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.092 1.357 . . . . 0.0 110.203 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.37 160.52 48.72 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.296 1.997 . . . . 0.0 112.306 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -71.28 172.23 9.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.973 0.909 . . . . 0.0 111.737 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.578 1.551 . . . . 0.0 112.01 175.253 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 . . . . . 0 CA--C 1.54 0.565 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.47 HG23 HD21 ' A' ' 97' ' ' LEU . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.695 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 90' ' ' ARG . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 128' ' ' ARG . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG22 ' A' ' 71' ' ' VAL . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 117' ' ' LEU . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 63' ' ' THR . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 94' ' ' LEU . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 68' ' ' ARG . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.532 ' HB2' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.648 HG11 ' HB3' ' A' ' 91' ' ' LEU . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 117' ' ' LEU . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 105' ' ' LEU . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 98' ' ' ILE . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 94' ' ' LEU . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 . . . . . 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.422 HG23 HD21 ' A' ' 97' ' ' LEU . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 94' ' ' LEU . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HB2' HD21 ' A' ' 94' ' ' LEU . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 120' ' ' LEU . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 HG23 ' A' ' 63' ' ' THR . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.506 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.506 HD12 HG23 ' A' ' 98' ' ' ILE . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 87' ' ' ALA . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' HD22 ' A' ' 94' ' ' LEU . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 90' ' ' ARG . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 87' ' ' ALA . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 124' ' ' LEU . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' HG22 ' A' ' 71' ' ' VAL . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 64' ' ' PHE . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 98' ' ' ILE . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 68' ' ' ARG . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 75' ' ' LEU . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 . . . . . 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 . . . . . 0 CA--C 1.546 0.813 0 N-CA-C 112.964 0.728 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.581 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 91' ' ' LEU . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 74' ' ' LEU . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 64' ' ' PHE . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.474 HD21 HG23 ' A' ' 63' ' ' THR . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.48 HG23 HD11 ' A' ' 110' ' ' LEU . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 98' ' ' ILE . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 102' ' ' VAL . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.434 HG23 HD21 ' A' ' 97' ' ' LEU . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CD1' HD22 ' A' ' 94' ' ' LEU . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 94' ' ' LEU . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 87' ' ' ALA . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 64' ' ' PHE . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HG23 ' A' ' 63' ' ' THR . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 98' ' ' ILE . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 . . . . . 0 CA--C 1.542 0.673 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 97' ' ' LEU . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 94' ' ' LEU . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 117' ' ' LEU . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 63' ' ' THR . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.704 HG23 HD21 ' A' ' 110' ' ' LEU . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 64' ' ' PHE . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 67' ' ' GLU . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HD21 ' A' ' 110' ' ' LEU . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.479 HD12 HG23 ' A' ' 98' ' ' ILE . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.488 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.407 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB2' HD21 ' A' ' 94' ' ' LEU . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 90' ' ' ARG . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 HG23 ' A' ' 63' ' ' THR . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.588 HG21 HE22 ' A' ' 114' ' ' GLN . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 98' ' ' ILE . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.588 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 . . . . . 0 CA--C 1.547 0.835 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.457 HG23 HD21 ' A' ' 97' ' ' LEU . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' HD22 ' A' ' 94' ' ' LEU . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 90' ' ' ARG . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 124' ' ' LEU . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 71' ' ' VAL . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 67' ' ' GLU . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 63' ' ' THR . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 105' ' ' LEU . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 HG23 ' A' ' 98' ' ' ILE . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.531 HD13 ' HB ' ' A' ' 71' ' ' VAL . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 75' ' ' LEU . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 94' ' ' LEU . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.592 ' HB2' HD21 ' A' ' 94' ' ' LEU . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 120' ' ' LEU . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 120' ' ' LEU . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 67' ' ' GLU . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.546 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.54 HG23 HD21 ' A' ' 110' ' ' LEU . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 98' ' ' ILE . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.54 HD21 HG23 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 94' ' ' LEU . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 71' ' ' VAL . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 . . . . . 0 CA--C 1.545 0.776 0 CA-C-O 120.382 0.134 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' HD11 ' A' ' 120' ' ' LEU . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HB3' HG22 ' A' ' 71' ' ' VAL . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 67' ' ' GLU . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.918 HG21 HE22 ' A' ' 114' ' ' GLN . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.426 HG23 HD11 ' A' ' 110' ' ' LEU . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 98' ' ' ILE . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 102' ' ' VAL . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.918 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 94' ' ' LEU . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 . . . . . 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 94' ' ' LEU . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CB ' HD21 ' A' ' 94' ' ' LEU . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 71' ' ' VAL . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 67' ' ' GLU . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 105' ' ' LEU . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 98' ' ' ILE . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 124' ' ' LEU . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 . . . . . 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 121.833 0.825 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 120' ' ' LEU . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 67' ' ' GLU . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 98' ' ' ILE . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 68' ' ' ARG . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? . . . . . 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 112.125 0.416 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB2' HD21 ' A' ' 94' ' ' LEU . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' HD11 ' A' ' 117' ' ' LEU . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 110' ' ' LEU . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 107' ' ' ALA . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 94' ' ' LEU . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 68' ' ' ARG . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 . . . . . 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 . . . . . 0 CA--C 1.543 0.681 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 HD21 ' A' ' 97' ' ' LEU . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 91' ' ' LEU . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.869 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 64' ' ' PHE . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 105' ' ' LEU . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 98' ' ' ILE . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 91' ' ' LEU . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 . . . . . 0 CA--C 1.544 0.719 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' A' ' 123' ' ' ALA . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.66 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 98' ' ' ILE . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 98' ' ' ILE . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.738 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 119.906 -0.092 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 HD21 ' A' ' 97' ' ' LEU . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.47 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB2' HD21 ' A' ' 94' ' ' LEU . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' PHE . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 98' ' ' ILE . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 124' ' ' LEU . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 71' ' ' VAL . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 98' ' ' ILE . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 . . . . . 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HD21 ' A' ' 97' ' ' LEU . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 90' ' ' ARG . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 123' ' ' ALA . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HB3' HG22 ' A' ' 71' ' ' VAL . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 64' ' ' PHE . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 63' ' ' THR . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.565 HG23 HD21 ' A' ' 110' ' ' LEU . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.403 HD13 ' HB ' ' A' ' 71' ' ' VAL . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 . . . . . 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.9 -29.38 6.92 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 122.986 2.457 . . . . 0.0 113.382 -176.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 55.04 23.57 5.28 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.329 2.252 . . . . 0.0 114.814 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -84.07 169.68 14.66 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.361 1.864 . . . . 0.0 113.216 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -83.89 90.8 7.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.38 1.872 . . . . 0.0 111.596 175.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -74.69 80.85 2.04 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.297 1.039 . . . . 0.0 111.536 175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -93.35 -14.9 26.31 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 124.818 1.247 . . . . 0.0 113.639 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -61.67 -29.45 70.09 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.453 1.501 . . . . 0.0 113.355 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -58.18 -33.22 69.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.819 0.847 . . . . 0.0 113.158 174.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.82 -30.16 70.75 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.419 1.087 . . . . 0.0 112.87 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -63.13 -43.21 99.03 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.091 -1.006 . . . . 0.0 110.05 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -69.54 -23.75 63.62 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -29.54 58.12 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.681 1.192 . . . . 0.0 111.933 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.8 mt -56.0 -18.23 8.87 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.211 1.404 . . . . 0.0 113.816 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -59.78 -23.19 63.08 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.415 1.086 . . . . 0.0 112.102 175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 p -61.17 -25.22 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.448 1.099 . . . . 0.0 112.442 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -61.8 -28.65 69.61 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 121.272 -0.892 . . . . 0.0 112.364 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -69.26 -39.31 78.51 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.122 1.369 . . . . 0.0 111.355 175.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -63.52 -31.6 72.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.08 0.952 . . . . 0.0 112.224 175.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -59.28 -27.19 65.61 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.59 -20.37 58.62 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.26 -175.36 5.41 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.361 1.464 . . . . 0.0 110.498 175.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -57.67 166.75 1.26 Allowed 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.824 1.65 . . . . 0.0 111.79 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -55.39 146.87 18.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.607 1.163 . . . . 0.0 112.187 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -62.62 -7.59 5.02 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -58.73 -25.1 62.63 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.968 1.307 . . . . 0.0 114.391 176.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.73 -18.93 56.02 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.889 1.675 . . . . 0.0 113.452 175.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.75 -25.51 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 120.985 -1.072 . . . . 0.0 110.795 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -61.93 -27.2 68.66 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.204 -0.935 . . . . 0.0 113.179 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -61.64 -16.18 46.27 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.666 1.586 . . . . 0.0 113.513 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.2 55.89 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.539 -0.725 . . . . 0.0 112.304 174.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -76.47 -19.85 57.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.471 1.108 . . . . 0.0 112.677 177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 p -61.69 -36.24 80.33 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.307 -0.871 . . . . 0.0 111.367 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -58.85 -39.81 82.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 111.846 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -58.42 -50.71 72.73 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.096 0.558 . . . . 0.0 110.794 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -54.23 -53.35 54.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.159 0.583 . . . . 0.0 111.582 176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.23 -39.84 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 118.52 0.6 . . . . 0.0 111.356 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.58 -61.61 2.21 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.442 0.697 . . . . 0.0 112.249 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.47 HG23 HD21 ' A' ' 97' ' ' LEU . 14.6 t -57.96 -41.68 83.39 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.88 0.872 . . . . 0.0 112.101 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -65.36 -51.64 59.14 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.68 1.192 . . . . 0.0 112.451 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.47 75.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.862 0.865 . . . . 0.0 112.593 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -68.32 -42.04 79.92 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.297 1.439 . . . . 0.0 112.797 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.87 -48.69 62.79 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.639 0.776 . . . . 0.0 111.936 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.695 ' HB2' HD11 ' A' ' 120' ' ' LEU . 2.0 ptp180 -55.89 -40.09 72.52 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.663 0.665 . . . . 0.0 110.821 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.11 99.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.132 1.373 . . . . 0.0 112.735 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.26 -45.59 90.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.321 0.648 . . . . 0.0 112.156 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' A' ' 90' ' ' ARG . 13.0 t -61.72 -42.49 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 O-C-N 121.683 -0.636 . . . . 0.0 111.295 175.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -59.8 -26.35 65.67 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.268 1.027 . . . . 0.0 113.458 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -90.56 -33.43 15.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.183 0.993 . . . . 0.0 113.106 176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.4 tp -59.06 -49.88 76.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.276 1.03 . . . . 0.0 111.97 175.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.4 pp -59.4 -27.11 65.7 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -78.77 -37.03 42.03 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.018 1.327 . . . . 0.0 111.408 174.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -72.9 -24.99 60.91 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.691 1.196 . . . . 0.0 113.357 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.56 137.29 56.49 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.005 1.322 . . . . 0.0 112.582 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -119.41 -19.09 8.36 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.927 1.291 . . . . 0.0 113.873 -178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.9 m -144.48 169.48 17.88 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 126.636 1.975 . . . . 0.0 110.751 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.91 -28.02 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.806 1.242 . . . . 0.0 112.575 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -56.95 -53.39 58.58 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.781 1.232 . . . . 0.0 112.714 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -68.44 -33.06 73.53 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.034 1.334 . . . . 0.0 112.352 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 128' ' ' ARG . 6.6 tp -61.82 -46.4 89.65 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.627 1.171 . . . . 0.0 111.997 176.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -61.05 -36.5 79.74 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 112.056 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.44 -45.85 89.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.947 0.899 . . . . 0.0 112.017 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.56 69.29 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.107 -0.996 . . . . 0.0 113.36 175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.31 -22.5 66.97 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.2 m -83.68 -33.18 25.25 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.255 -0.903 . . . . 0.0 111.627 174.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HB3' HG22 ' A' ' 71' ' ' VAL . 20.4 mmm180 -62.75 -45.21 93.77 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.915 0.886 . . . . 0.0 111.797 175.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.32 -37.16 86.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.359 0.664 . . . . 0.0 112.489 178.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.3 mm-40 -65.44 -28.99 69.62 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.295 1.438 . . . . 0.0 113.799 175.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.05 -35.39 30.78 Favored Glycine 0 CA--C 1.528 0.893 0 C-N-CA 124.313 0.958 . . . . 0.0 112.078 177.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' HB3' HD21 ' A' ' 117' ' ' LEU . 2.2 mt -61.61 -38.4 87.49 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.94 0.896 . . . . 0.0 113.195 175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -61.8 -28.97 69.83 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 120.022 1.283 . . . . 0.0 112.684 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.04 -30.47 69.69 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.413 1.085 . . . . 0.0 113.276 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.47 HD21 HG23 ' A' ' 63' ' ' THR . 18.2 tp -57.72 -48.46 79.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 111.201 174.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -66.44 -42.2 89.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-O 119.014 -0.517 . . . . 0.0 110.497 175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.6 t30 -55.29 -28.44 53.53 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.155 1.168 . . . . 0.0 114.155 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -69.32 -48.3 61.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.272 -0.892 . . . . 0.0 112.93 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.2 m -103.92 22.1 15.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 125.93 1.692 . . . . 0.0 112.773 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.4 -42.22 83.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 O-C-N 120.451 -1.406 . . . . 0.0 113.368 -173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -76.44 -4.69 43.83 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.656 1.183 . . . . 0.0 112.825 176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -101.24 -45.05 5.48 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.584 1.154 . . . . 0.0 111.098 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 95.7 mt -63.95 129.83 41.61 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.517 1.127 . . . . 0.0 110.72 175.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.75 159.95 8.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.486 0.715 . . . . 0.0 111.418 175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.44 28.42 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.513 0.725 . . . . 0.0 112.953 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -64.55 -58.03 7.49 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.676 1.191 . . . . 0.0 110.889 175.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -73.96 -37.71 64.42 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.692 1.197 . . . . 0.0 112.896 -173.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.5 tp -58.23 -52.53 65.17 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.677 1.191 . . . . 0.0 109.462 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.45 -36.3 83.31 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -62.51 -57.64 10.45 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.646 1.578 . . . . 0.0 111.835 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.9 -36.22 91.7 Favored Glycine 0 CA--C 1.53 1.019 0 CA-C-N 118.91 0.777 . . . . 0.0 113.383 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -66.21 -54.57 23.54 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.179 0.989 . . . . 0.0 112.096 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -69.37 -26.55 64.72 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.15 -43.52 82.55 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.729 1.211 . . . . 0.0 111.655 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 94' ' ' LEU . 3.1 mm? -59.23 -41.51 88.86 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.202 0.91 . . . . 0.0 112.378 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.86 74.31 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -58.62 -44.98 90.15 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.78 1.232 . . . . 0.0 111.751 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' ' 68' ' ' ARG . 9.6 mt -75.05 -30.05 60.92 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.71 1.604 . . . . 0.0 112.146 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -56.04 -38.18 70.22 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.628 1.171 . . . . 0.0 111.857 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.25 -44.18 92.4 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.972 0.909 . . . . 0.0 111.439 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.32 -31.95 64.18 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.469 0.708 . . . . 0.0 112.563 176.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.8 mt -75.53 -52.36 10.82 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.65 -0.656 . . . . 0.0 110.263 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.15 -34.55 70.4 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 123.51 0.724 . . . . 0.0 112.598 -178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -64.08 -26.25 68.46 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.75 2.02 . . . . 0.0 113.413 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -39.94 10.94 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.456 1.102 . . . . 0.0 109.929 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.532 ' HB2' HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -51.41 -49.5 61.5 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.307 1.843 . . . . 0.0 112.854 177.351 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -55.39 -28.44 54.05 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.07 -15.87 40.35 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.2 1.381 . . . . 0.0 114.214 176.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 60.3 mt -90.03 -69.79 0.7 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.815 1.646 . . . . 0.0 111.633 178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.53 157.28 47.85 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 124.431 1.092 . . . . 0.0 112.378 175.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.05 156.43 65.87 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 122.835 2.357 . . . . 0.0 111.933 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.6 ptmm? -105.93 161.54 14.37 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.659 1.584 . . . . 0.0 111.965 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.253 1.269 0 C-N-CA 124.756 1.223 . . . . 0.0 110.72 175.004 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.553 -0.26 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.86 171.5 18.06 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.256 2.638 . . . . 0.0 112.371 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -86.35 152.75 22.47 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.24 1.016 . . . . 0.0 112.695 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -93.06 -34.54 13.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.638 1.175 . . . . 0.0 112.165 174.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.4 mt -74.82 85.51 2.2 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.084 1.754 . . . . 0.0 111.399 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -119.2 172.39 7.62 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.495 1.518 . . . . 0.0 111.321 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.4 mtt180 55.03 31.6 16.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.159 1.783 . . . . 0.0 114.102 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.55 -30.97 22.54 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.649 1.58 . . . . 0.0 114.292 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -73.4 -36.55 66.03 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.379 1.472 . . . . 0.0 112.117 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.6 -27.57 69.33 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.734 1.213 . . . . 0.0 111.59 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.53 -24.8 65.65 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.285 -0.885 . . . . 0.0 111.587 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -67.03 -24.35 65.99 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.323 1.049 . . . . 0.0 113.037 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -70.54 -33.56 71.28 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.342 1.057 . . . . 0.0 111.308 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.57 -25.25 66.06 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -56.29 -28.98 60.55 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.226 1.41 . . . . 0.0 113.163 176.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 43.4 t -69.82 -56.26 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.781 0.832 . . . . 0.0 109.734 175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -67.46 -20.11 65.44 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.052 0.941 . . . . 0.0 113.412 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -56.0 -37.74 69.55 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.766 1.627 . . . . 0.0 110.608 174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 -66.08 -20.53 66.2 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.892 1.677 . . . . 0.0 114.306 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -83.33 -31.19 26.96 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.718 1.207 . . . . 0.0 112.428 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.58 1.47 25.33 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 126.676 1.99 . . . . 0.0 113.775 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.41 141.08 31.83 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.205 1.402 . . . . 0.0 110.934 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.67 175.75 5.4 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 121.577 0.703 . . . . 0.0 110.571 175.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -57.14 172.09 0.32 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.711 1.204 . . . . 0.0 111.726 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -56.69 -12.64 1.95 Allowed 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -64.24 -19.74 65.58 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -82.42 -12.3 57.97 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.916 0.886 . . . . 0.0 112.889 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.53 -19.91 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.161 0.984 . . . . 0.0 111.266 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.99 -25.29 63.5 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.869 -1.144 . . . . 0.0 112.704 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.3 tptt -69.54 -17.94 63.62 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.258 1.823 . . . . 0.0 113.94 175.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -62.56 -17.91 60.96 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.96 0.904 . . . . 0.0 112.522 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -58.86 -21.0 56.15 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 121.326 -0.859 . . . . 0.0 111.884 175.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.7 t -61.61 -31.32 71.39 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.099 0.96 . . . . 0.0 111.554 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -61.26 -39.01 88.77 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.199 -0.938 . . . . 0.0 111.852 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.74 -53.47 57.37 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.403 0.681 . . . . 0.0 110.604 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.47 -52.17 64.52 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 123.787 0.835 . . . . 0.0 111.342 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.81 -40.75 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 123.23 0.612 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.65 -60.64 3.23 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.832 0.853 . . . . 0.0 111.856 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -60.09 -41.48 92.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.882 0.873 . . . . 0.0 112.304 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.5 -52.8 55.99 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.318 1.447 . . . . 0.0 112.446 178.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.81 91.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.342 0.657 . . . . 0.0 111.813 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -60.46 -45.31 94.17 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.436 1.095 . . . . 0.0 112.395 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -65.13 -52.85 52.82 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.736 0.815 . . . . 0.0 112.263 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -60.86 -38.86 87.01 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 118.579 0.627 . . . . 0.0 110.499 -176.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.58 -47.25 86.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.599 1.16 . . . . 0.0 112.142 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.93 -46.15 82.25 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.186 0.594 . . . . 0.0 112.191 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.648 HG11 ' HB3' ' A' ' 91' ' ' LEU . 30.9 t -70.48 -41.08 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.739 -0.6 . . . . 0.0 112.569 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -60.62 -30.62 69.97 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.209 1.004 . . . . 0.0 112.074 174.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -80.35 -36.61 33.83 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.215 -0.928 . . . . 0.0 111.736 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.73 -51.33 69.81 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.693 1.197 . . . . 0.0 112.047 174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 pp -58.86 -30.56 67.81 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.301 0.955 . . . . 0.0 113.445 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.72 -30.12 63.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.237 1.415 . . . . 0.0 112.885 175.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -98.09 3.79 49.2 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.298 1.439 . . . . 0.0 114.113 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.49 67.97 3.5 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.989 1.715 . . . . 0.0 112.948 176.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -67.01 -19.43 65.7 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.208 1.003 . . . . 0.0 112.916 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.3 m -113.02 147.33 37.43 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.905 1.682 . . . . 0.0 110.672 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 81.8 t -51.36 -39.98 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.516 1.527 . . . . 0.0 111.948 175.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -55.87 -49.17 74.09 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 112.561 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -65.77 -28.21 68.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.2 tp -74.33 -48.91 25.21 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.674 0.79 . . . . 0.0 111.036 177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.18 -43.71 98.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.715 1.206 . . . . 0.0 112.406 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -63.78 -35.23 79.91 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.088 0.858 . . . . 0.0 112.444 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.3 -42.35 81.56 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.33 -0.856 . . . . 0.0 111.87 175.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.09 -28.61 67.97 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.959 0.904 . . . . 0.0 112.892 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.1 m -79.91 -35.86 37.29 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 120.981 -1.074 . . . . 0.0 112.036 175.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -62.39 -44.98 95.17 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.507 0.723 . . . . 0.0 111.272 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.8 OUTLIER -70.61 -30.73 67.47 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.422 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.7 mm-40 -61.06 -24.48 66.24 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.795 -1.191 . . . . 0.0 113.581 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -82.12 -18.45 67.13 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.629 1.109 . . . . 0.0 113.706 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.537 ' HB3' HD21 ' A' ' 117' ' ' LEU . 1.9 mt -69.02 -37.14 78.47 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.227 1.013 . . . . 0.0 111.897 175.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.24 -32.53 72.33 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.819 1.191 . . . . 0.0 112.237 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 35.2 mmtm -67.28 -27.44 67.19 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.483 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -61.58 -48.77 79.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.938 0.895 . . . . 0.0 110.317 174.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 105' ' ' LEU . 2.9 mp -66.61 -41.14 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.742 176.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -52.79 -30.97 36.1 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.343 0.974 . . . . 0.0 113.56 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.31 -54.29 15.35 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.667 0.787 . . . . 0.0 112.473 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.7 p -95.34 20.6 9.11 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.644 1.978 . . . . 0.0 113.633 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.0 p -58.97 -42.86 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 119.954 -1.716 . . . . 0.0 113.631 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -76.96 -5.14 47.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.548 1.139 . . . . 0.0 112.814 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -98.37 -46.95 5.6 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.621 1.168 . . . . 0.0 111.1 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 98' ' ' ILE . 95.5 mt -62.84 134.87 56.9 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.572 1.149 . . . . 0.0 111.317 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.66 155.89 14.79 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.419 0.688 . . . . 0.0 110.803 175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.01 -29.79 58.12 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.629 -0.669 . . . . 0.0 112.699 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.31 -59.82 3.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.366 1.467 . . . . 0.0 110.83 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.5 -37.25 77.12 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.683 1.193 . . . . 0.0 112.982 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.98 -55.59 32.98 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 109.861 174.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.98 -35.22 77.84 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -62.82 -58.01 8.91 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.589 1.156 . . . . 0.0 111.275 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.21 -35.0 90.92 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-N 119.332 0.969 . . . . 0.0 113.538 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -65.47 -55.77 16.06 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.046 0.923 . . . . 0.0 112.019 175.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.32 -26.63 64.81 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.9 76.81 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.759 1.624 . . . . 0.0 113.112 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.537 HD21 ' HB3' ' A' ' 94' ' ' LEU . 2.5 mm? -63.21 -43.96 96.65 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 118.803 0.729 . . . . 0.0 112.153 175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.97 -32.04 69.29 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.204 0.601 . . . . 0.0 112.456 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -58.62 -38.65 78.48 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.87 0.868 . . . . 0.0 112.06 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.6 mt -73.45 -34.03 65.2 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.549 1.54 . . . . 0.0 112.317 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -55.0 -43.02 73.22 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.725 1.21 . . . . 0.0 112.059 175.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.07 -48.48 78.45 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.566 0.746 . . . . 0.0 111.878 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.34 -37.34 69.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.371 0.669 . . . . 0.0 112.542 175.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -65.52 -52.45 52.52 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.988 0.915 . . . . 0.0 110.267 175.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.58 73.82 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.029 1.332 . . . . 0.0 113.648 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -54.99 -47.73 74.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.014 1.325 . . . . 0.0 112.488 175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -81.62 -31.7 32.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.399 0.68 . . . . 0.0 112.484 176.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -53.1 -34.21 55.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.189 1.396 . . . . 0.0 112.033 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -23.18 10.53 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.293 1.837 . . . . 0.0 114.954 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.01 -29.14 4.71 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 125.469 1.509 . . . . 0.0 113.433 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 72.2 mt -80.48 -66.71 0.85 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.794 1.638 . . . . 0.0 112.286 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -118.94 73.49 12.32 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 127.14 2.176 . . . . 0.0 109.242 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.96 155.17 65.86 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.619 2.213 . . . . 0.0 111.38 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -63.13 132.32 51.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.774 0.83 . . . . 0.0 110.225 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.001 1.72 . . . . 0.0 111.693 -177.614 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.8 mmt . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 119.402 -0.332 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -75.36 -16.62 19.33 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 122.75 2.3 . . . . 0.0 114.133 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.49 -31.69 72.9 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.797 1.239 . . . . 0.0 112.985 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -111.73 161.79 15.91 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.046 1.738 . . . . 0.0 110.668 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.61 7.28 39.98 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.769 1.628 . . . . 0.0 113.644 -178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -68.47 153.55 43.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.651 1.18 . . . . 0.0 112.766 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 mmp_? -98.35 -4.68 34.37 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.269 1.428 . . . . 0.0 113.744 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -56.41 -23.65 39.72 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 126.129 1.771 . . . . 0.0 113.524 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -55.84 -29.0 59.15 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.693 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -61.91 -32.04 72.39 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.417 -0.802 . . . . 0.0 112.591 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.18 -26.81 61.31 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.135 -0.978 . . . . 0.0 112.5 175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -62.41 -18.24 61.16 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.2 1.0 . . . . 0.0 113.413 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -54.41 -42.89 70.99 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.034 1.333 . . . . 0.0 111.468 175.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.22 -16.21 47.39 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.806 0.842 . . . . 0.0 113.224 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -77.69 -20.28 53.92 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.324 -0.86 . . . . 0.0 112.041 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.3 t -52.3 -48.72 43.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 CA-C-N 120.229 1.377 . . . . 0.0 112.062 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -66.11 -23.01 66.42 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -78.7 -47.49 16.81 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 127.015 2.126 . . . . 0.0 110.945 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -54.81 -31.3 58.93 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.039 1.736 . . . . 0.0 112.877 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.4 tttt -59.16 -27.23 65.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.756 1.622 . . . . 0.0 113.502 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -108.83 -18.0 13.8 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.912 2.085 . . . . 0.0 114.117 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.24 -179.95 1.42 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 127.076 2.15 . . . . 0.0 111.498 174.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -63.96 171.71 2.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.165 1.386 . . . . 0.0 111.612 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 71.17 78.04 0.17 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.7 2.0 . . . . 0.0 112.037 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.49 -3.35 4.29 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -21.99 64.2 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.853 1.261 . . . . 0.0 114.112 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -80.07 -17.3 53.05 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.182 1.393 . . . . 0.0 113.765 175.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 23.6 t -79.74 -19.0 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.24 1.416 . . . . 0.0 111.695 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -58.13 -26.46 62.69 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.876 -1.14 . . . . 0.0 113.313 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -61.23 -18.31 57.67 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.467 1.507 . . . . 0.0 113.862 174.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -70.69 -9.68 57.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.703 0.801 . . . . 0.0 112.677 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -56.81 -22.35 35.69 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.487 1.04 . . . . 0.0 112.376 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.9 m -61.48 -32.72 72.74 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.29 -0.881 . . . . 0.0 111.328 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -67.53 -37.6 82.98 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.106 -0.996 . . . . 0.0 111.956 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -57.74 -46.96 83.75 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.436 0.694 . . . . 0.0 111.213 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -53.22 -52.89 57.46 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 123.632 0.773 . . . . 0.0 111.885 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.6 t -53.81 -39.44 39.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 118.566 0.621 . . . . 0.0 111.243 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.63 12.89 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.849 0.86 . . . . 0.0 112.756 177.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.422 HG23 HD21 ' A' ' 97' ' ' LEU . 11.8 t -62.16 -41.73 98.58 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.803 0.841 . . . . 0.0 112.35 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.421 ' CD2' HD22 ' A' ' 94' ' ' LEU . 44.8 t80 -61.83 -46.74 88.17 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.22 1.408 . . . . 0.0 111.564 175.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.62 -45.75 85.0 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.335 1.054 . . . . 0.0 112.697 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -60.34 -45.48 93.29 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.341 0.656 . . . . 0.0 112.009 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HB2' HD21 ' A' ' 94' ' ' LEU . 67.0 mm-40 -67.38 -53.14 31.96 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.641 0.776 . . . . 0.0 112.278 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HB2' HD11 ' A' ' 120' ' ' LEU . 9.6 ptm180 -56.03 -41.97 75.79 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.131 0.878 . . . . 0.0 111.433 179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.76 -44.42 96.92 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.863 0.865 . . . . 0.0 112.184 177.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.3 -44.2 83.89 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.486 0.585 . . . . 0.0 112.167 175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.5 -50.02 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 123.262 0.625 . . . . 0.0 111.526 175.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.28 -32.92 71.64 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.125 1.37 . . . . 0.0 112.079 -178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -76.16 -37.38 58.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.963 0.905 . . . . 0.0 111.529 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.24 -52.45 62.11 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.859 1.264 . . . . 0.0 110.874 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.53 -31.82 69.75 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -71.69 -27.68 63.2 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.241 -0.912 . . . . 0.0 112.522 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -103.43 20.06 18.56 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.998 2.119 . . . . 0.0 113.3 177.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.83 85.21 1.7 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.475 1.51 . . . . 0.0 111.942 175.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -70.33 -23.55 62.85 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.292 1.037 . . . . 0.0 113.328 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 37.6 m -143.94 163.84 32.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.365 2.266 . . . . 0.0 111.334 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.1 t -57.54 -33.39 44.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.172 1.389 . . . . 0.0 112.503 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.34 -46.44 83.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.887 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -65.6 -33.87 76.9 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.91 0.884 . . . . 0.0 112.133 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 tp -62.78 -50.23 71.83 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.629 0.772 . . . . 0.0 112.127 177.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -65.91 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -60.87 -45.54 94.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.046 0.938 . . . . 0.0 111.668 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -58.77 -33.1 69.92 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 121.185 -0.947 . . . . 0.0 113.432 175.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.34 -21.54 66.65 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 121.209 -0.932 . . . . 0.0 112.935 175.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.0 m -84.04 -36.17 23.29 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.941 1.296 . . . . 0.0 111.169 175.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.7 mmm180 -59.82 -46.29 89.71 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.26 1.024 . . . . 0.0 111.539 175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.27 -33.05 73.65 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 178.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -61.79 -31.49 71.7 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.237 -0.914 . . . . 0.0 113.018 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.6 -24.42 72.66 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.555 1.074 . . . . 0.0 113.62 174.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.1 mt -66.75 -36.58 82.77 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 118.901 1.351 . . . . 0.0 111.507 174.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -63.56 -35.76 81.57 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.106 -0.996 . . . . 0.0 111.592 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -62.91 -33.55 75.56 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.979 1.712 . . . . 0.0 113.836 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.422 HD21 HG23 ' A' ' 63' ' ' THR . 17.7 tp -59.74 -50.31 74.34 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.171 0.988 . . . . 0.0 110.327 175.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.506 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -68.27 -41.65 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 118.815 -0.612 . . . . 0.0 111.528 175.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -54.53 -28.47 45.6 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 119.128 0.877 . . . . 0.0 113.314 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -69.65 -55.42 10.07 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.519 0.727 . . . . 0.0 112.01 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 23.38 8.27 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.939 1.696 . . . . 0.0 113.341 -176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -59.74 -42.67 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 O-C-N 120.308 -1.495 . . . . 0.0 113.287 -173.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -75.83 -7.57 54.78 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.58 1.152 . . . . 0.0 112.707 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -95.88 -45.55 6.91 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.872 1.269 . . . . 0.0 111.381 178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.506 HD12 HG23 ' A' ' 98' ' ' ILE . 63.6 mt -63.73 135.9 57.04 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.505 0.722 . . . . 0.0 111.645 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.27 161.06 17.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.681 . . . . 0.0 110.592 175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.03 63.21 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 121.483 -0.76 . . . . 0.0 112.223 176.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -61.34 -58.48 8.05 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.298 1.439 . . . . 0.0 111.277 174.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -71.88 -39.06 69.88 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.442 1.097 . . . . 0.0 112.668 -174.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 39.9 tp -57.4 -52.13 66.63 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.634 1.174 . . . . 0.0 110.479 174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -66.54 -28.08 68.26 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -69.45 -54.87 12.19 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.398 1.079 . . . . 0.0 111.121 174.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.81 -46.75 93.9 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.054 0.835 . . . . 0.0 113.207 -179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -60.27 -40.76 91.53 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.254 1.027 . . . . 0.0 113.218 176.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.83 -35.93 82.69 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 175.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.77 -39.03 87.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.944 0.897 . . . . 0.0 112.825 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.22 -45.64 79.83 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 120.017 1.28 . . . . 0.0 110.873 174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.47 78.39 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.381 1.072 . . . . 0.0 111.748 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -59.58 -39.99 85.93 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.852 1.261 . . . . 0.0 111.668 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.1 mt -77.56 -36.85 51.71 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.806 1.243 . . . . 0.0 112.767 174.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -55.24 -44.07 75.19 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.551 1.14 . . . . 0.0 112.271 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.02 -45.67 92.57 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.06 -36.5 65.65 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.904 0.881 . . . . 0.0 112.638 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 87' ' ' ALA . 16.2 mt -66.66 -49.54 65.83 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 123.49 0.716 . . . . 0.0 112.105 174.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.16 77.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 122.419 0.288 . . . . 0.0 111.681 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -65.11 -43.69 91.19 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.808 0.843 . . . . 0.0 112.158 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.6 tpp180 -63.87 -37.29 86.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.413 -0.804 . . . . 0.0 112.402 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -53.8 -36.09 62.09 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.602 1.161 . . . . 0.0 113.007 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -55.65 -25.33 38.66 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.904 2.482 . . . . 0.0 113.89 178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -102.63 -8.54 42.84 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 125.474 1.511 . . . . 0.0 114.781 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 75.7 mt -99.62 -73.83 0.62 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.129 1.772 . . . . 0.0 111.232 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -85.05 161.54 52.25 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 124.412 1.085 . . . . 0.0 112.451 175.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -69.26 153.68 70.85 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 122.614 2.209 . . . . 0.0 111.059 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -131.95 106.21 7.91 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.207 1.403 . . . . 0.0 110.976 177.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 50.3 mttp . . . . . 0 C--O 1.256 1.403 0 C-N-CA 126.484 1.914 . . . . 0.0 112.501 176.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 119.036 -0.507 . . . . 0.0 111.034 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.76 166.67 25.41 Favored 'Trans proline' 0 CA--C 1.54 0.823 0 C-N-CA 123.458 2.772 . . . . 0.0 112.71 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.06 148.99 34.03 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.82 0.848 . . . . 0.0 112.444 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.8 ptt180 -122.45 -29.41 4.11 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.471 1.909 . . . . 0.0 113.803 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.5 mt -77.61 78.76 4.12 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.722 1.609 . . . . 0.0 110.931 175.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -93.15 171.22 9.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.344 1.058 . . . . 0.0 110.896 175.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 mtm-85 -91.95 171.65 8.97 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.89 1.676 . . . . 0.0 111.735 175.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.02 -11.74 59.48 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.778 1.231 . . . . 0.0 112.624 175.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -55.7 -30.4 61.05 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.197 -0.939 . . . . 0.0 113.351 175.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -54.99 -47.32 74.78 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.562 1.545 . . . . 0.0 112.765 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -78.33 -37.68 43.95 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 121.8 -0.563 . . . . 0.0 110.561 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.8 -29.87 65.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.736 1.214 . . . . 0.0 113.423 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.58 -47.78 80.08 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.253 1.421 . . . . 0.0 111.98 177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.3 mt -85.77 -24.76 26.74 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.419 1.088 . . . . 0.0 113.838 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -58.93 -23.32 61.27 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.013 1.725 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -60.63 -28.58 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 120.605 -1.31 . . . . 0.0 112.212 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.85 -26.34 68.57 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.61 1.164 . . . . 0.0 112.694 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -71.01 -54.44 11.23 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.293 1.437 . . . . 0.0 110.682 174.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -53.44 -29.8 37.32 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 125.631 1.572 . . . . 0.0 113.135 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.2 tttt -54.22 -21.85 10.04 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.683 1.193 . . . . 0.0 113.697 175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -112.52 -77.44 0.58 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.612 1.965 . . . . 0.0 111.868 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.8 157.85 37.37 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 126.201 1.8 . . . . 0.0 112.836 179.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -78.24 127.79 32.77 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.593 1.157 . . . . 0.0 111.905 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -114.37 167.69 10.5 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.467 1.507 . . . . 0.0 111.778 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.0 p30 -70.58 -5.34 28.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.103 1.361 . . . . 0.0 113.888 174.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -61.33 -19.14 61.48 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.925 -1.11 . . . . 0.0 113.684 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -70.86 -22.7 62.27 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.117 1.367 . . . . 0.0 112.972 174.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.59 -18.53 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.661 1.584 . . . . 0.0 111.788 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.02 -25.54 65.38 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.538 -1.351 . . . . 0.0 112.777 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -18.26 63.65 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.698 1.599 . . . . 0.0 114.076 175.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -78.97 -22.06 46.21 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.125 1.37 . . . . 0.0 112.907 175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -64.0 -18.27 64.14 Favored 'General case' 0 CA--C 1.545 0.784 0 O-C-N 121.098 -1.001 . . . . 0.0 112.71 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 m -60.12 -37.46 80.08 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.241 1.016 . . . . 0.0 111.37 174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -67.96 -40.88 83.13 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.552 0.741 . . . . 0.0 111.247 175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -55.03 -46.25 75.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.503 0.721 . . . . 0.0 111.674 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -54.45 -54.08 45.57 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.666 0.786 . . . . 0.0 111.651 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -55.48 -39.07 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.307 0.643 . . . . 0.0 111.118 179.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.27 -59.48 4.34 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.556 1.142 . . . . 0.0 113.171 174.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.25 -40.23 89.57 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.584 0.753 . . . . 0.0 112.121 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CD2' HD22 ' A' ' 94' ' ' LEU . 33.9 t80 -63.94 -47.44 80.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.668 1.187 . . . . 0.0 111.154 174.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.65 -48.02 78.49 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.902 0.774 . . . . 0.0 112.822 176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -57.19 -43.41 82.63 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.93 0.786 . . . . 0.0 112.196 176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB2' HD21 ' A' ' 94' ' ' LEU . 58.2 mm-40 -64.64 -61.35 2.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.388 0.675 . . . . 0.0 111.366 175.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -54.09 -37.91 64.78 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.235 0.925 . . . . 0.0 112.614 -176.508 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.77 -49.23 73.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.123 1.369 . . . . 0.0 112.695 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.67 -43.99 93.75 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 122.978 0.511 . . . . 0.0 111.691 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' ' 90' ' ' ARG . 22.0 t -61.24 -42.31 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.112 -0.471 . . . . 0.0 111.612 174.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.19 -40.59 86.22 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.863 0.865 . . . . 0.0 112.873 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -72.11 -32.72 67.24 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.366 -0.834 . . . . 0.0 112.598 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.942 HD22 ' HB2' ' A' ' 87' ' ' ALA . 3.1 tt -55.89 -33.68 64.83 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.953 0.901 . . . . 0.0 111.151 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.445 HD22 ' HG ' ' A' ' 124' ' ' LEU . 5.3 mt -66.45 -30.21 70.52 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.749 1.219 . . . . 0.0 113.344 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -73.36 -48.62 32.67 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.049 0.94 . . . . 0.0 111.766 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.09 -25.28 64.34 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.71 105.42 1.55 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -114.15 -12.58 12.5 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.878 1.671 . . . . 0.0 113.573 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 72.5 m -125.04 154.77 40.8 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 127.198 2.199 . . . . 0.0 110.017 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG22 ' HB3' ' A' ' 131' ' ' LEU . 52.0 t -54.84 -34.81 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.767 1.227 . . . . 0.0 111.725 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -58.31 -58.03 10.3 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.981 1.312 . . . . 0.0 113.314 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -61.94 -39.55 92.47 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.099 0.96 . . . . 0.0 111.195 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -50.2 74.64 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.219 1.408 . . . . 0.0 112.313 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -62.93 -36.55 83.78 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.891 0.877 . . . . 0.0 113.014 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.18 -46.97 82.35 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.012 0.824 . . . . 0.0 111.234 176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.942 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -56.28 -36.68 68.88 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.732 0.813 . . . . 0.0 113.15 175.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.42 -22.07 66.22 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -83.02 -41.25 18.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.686 1.194 . . . . 0.0 110.367 175.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.44 ' HB3' HG22 ' A' ' 71' ' ' VAL . 30.4 mmm180 -57.1 -44.47 83.23 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.639 0.776 . . . . 0.0 112.36 176.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.32 -37.65 83.65 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 176.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -64.34 -30.07 71.13 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.229 -0.92 . . . . 0.0 112.926 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -73.96 -26.96 67.6 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.652 1.12 . . . . 0.0 113.841 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.495 HD22 ' CD2' ' A' ' 64' ' ' PHE . 4.8 mt -60.53 -29.37 69.08 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.783 1.292 . . . . 0.0 112.273 175.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -63.6 -32.27 73.69 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.554 -0.716 . . . . 0.0 111.679 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.8 tttp -63.78 -32.75 74.36 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.667 1.587 . . . . 0.0 112.861 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 17.0 tp -61.48 -50.59 72.12 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.686 1.194 . . . . 0.0 110.164 175.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.565 HG23 HD12 ' A' ' 105' ' ' LEU . 3.3 mp -69.14 -42.61 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-O 118.801 -0.619 . . . . 0.0 111.265 177.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -56.02 -27.31 52.48 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -71.73 -50.08 33.45 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.548 0.739 . . . . 0.0 112.585 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -104.54 25.6 10.05 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.131 1.773 . . . . 0.0 112.711 -176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.09 -41.2 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 O-C-N 120.295 -1.503 . . . . 0.0 112.941 -173.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -76.97 -7.09 54.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.833 1.253 . . . . 0.0 112.665 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -95.4 -45.9 6.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.845 1.258 . . . . 0.0 111.256 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.565 HD12 HG23 ' A' ' 98' ' ' ILE . 96.2 mt -64.1 131.52 47.77 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.311 1.044 . . . . 0.0 111.198 175.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.27 156.66 15.08 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.26 0.624 . . . . 0.0 110.615 175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.15 -31.29 63.23 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.351 -0.843 . . . . 0.0 112.61 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -65.42 -53.29 45.14 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.135 1.774 . . . . 0.0 111.503 175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -36.64 73.91 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.544 1.138 . . . . 0.0 112.659 -177.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 33.4 tp -56.21 -51.94 66.23 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.47 1.108 . . . . 0.0 109.642 174.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -63.21 -29.77 71.05 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -71.11 -37.66 72.36 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.165 1.386 . . . . 0.0 113.391 176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -80.1 -47.57 6.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.338 -0.851 . . . . 0.0 112.603 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -58.82 -43.09 90.55 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.887 0.875 . . . . 0.0 112.805 -178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.43 -30.26 71.04 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.858 1.058 . . . . 0.0 113.858 177.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.86 99.36 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 118.164 -0.922 . . . . 0.0 111.941 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.434 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.3 mp -51.74 -46.08 63.89 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.963 1.256 . . . . 0.0 111.316 175.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.85 -37.18 83.52 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.876 0.87 . . . . 0.0 111.895 178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -61.03 -44.5 97.32 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.896 1.278 . . . . 0.0 112.081 178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 68' ' ' ARG . 15.0 mt -68.66 -39.77 80.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.454 1.101 . . . . 0.0 111.167 175.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -66.38 -37.82 86.14 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.002 1.321 . . . . 0.0 113.174 177.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.38 -45.34 93.87 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.107 -0.996 . . . . 0.0 112.187 175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.9 -31.44 68.63 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.292 0.637 . . . . 0.0 112.272 175.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.445 ' HG ' HD22 ' A' ' 75' ' ' LEU . 11.4 mt -72.85 -51.2 19.71 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.888 0.875 . . . . 0.0 112.139 174.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.62 65.41 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.17 0.588 . . . . 0.0 112.314 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -69.25 -40.2 78.02 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.572 1.149 . . . . 0.0 111.783 175.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -73.77 -31.66 63.41 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.797 1.239 . . . . 0.0 113.389 175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -53.23 -33.44 52.97 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.925 1.29 . . . . 0.0 112.817 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -54.15 -27.56 34.39 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.022 1.729 . . . . 0.0 114.411 175.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -98.87 -11.65 45.94 Favored Glycine 0 CA--C 1.538 1.478 0 C-N-CA 124.873 1.225 . . . . 0.0 114.637 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.425 ' HB3' HG22 ' A' ' 81' ' ' VAL . 34.4 mt -111.29 -75.22 0.62 Allowed 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.065 1.746 . . . . 0.0 112.031 -177.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -70.41 163.02 66.51 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.615 1.166 . . . . 0.0 112.678 174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -73.02 176.32 9.25 Favored 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.271 2.648 . . . . 0.0 112.637 175.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -116.33 96.85 5.73 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.479 1.912 . . . . 0.0 110.456 177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.695 1.598 . . . . 0.0 113.298 176.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.0 ttt . . . . . 0 N--CA 1.487 1.423 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.85 146.65 48.34 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.356 2.037 . . . . 0.0 111.7 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -139.0 166.29 24.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.472 1.509 . . . . 0.0 112.143 176.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.32 113.86 21.0 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.378 1.071 . . . . 0.0 110.783 175.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -95.76 -50.84 4.74 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.51 1.524 . . . . 0.0 111.819 175.003 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -69.83 -21.1 63.4 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtm-85 -98.69 3.38 47.71 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.43 1.492 . . . . 0.0 113.565 177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.36 -35.77 81.48 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 121.172 -0.955 . . . . 0.0 113.305 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -77.19 -39.58 48.28 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 175.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -33.48 66.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.532 -0.73 . . . . 0.0 112.675 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.26 -33.21 72.89 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.268 -0.895 . . . . 0.0 112.082 175.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -63.76 -23.44 67.37 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.135 0.974 . . . . 0.0 112.62 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -64.15 -34.65 78.55 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.777 0.831 . . . . 0.0 112.052 175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.27 -18.66 60.69 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.64 -40.49 92.2 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.287 1.035 . . . . 0.0 111.046 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 t -66.6 -30.55 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.291 1.036 . . . . 0.0 112.079 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.64 -28.94 70.26 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.928 -1.107 . . . . 0.0 112.524 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.9 -38.78 89.62 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.379 1.072 . . . . 0.0 112.286 175.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -58.06 -29.99 65.84 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.822 1.249 . . . . 0.0 112.902 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.4 tptm -64.51 -32.73 74.48 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.977 0.911 . . . . 0.0 112.429 175.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -84.6 -20.34 31.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.642 1.177 . . . . 0.0 113.923 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -67.16 154.22 41.79 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.757 1.223 . . . . 0.0 112.442 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -81.35 80.07 7.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.339 1.855 . . . . 0.0 111.794 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -144.02 163.83 32.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.618 1.567 . . . . 0.0 111.493 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -84.26 -2.72 57.46 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.073 0.949 . . . . 0.0 112.836 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -62.46 -21.17 65.24 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.854 1.262 . . . . 0.0 114.145 179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.15 -22.36 58.18 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 174.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.3 t -68.19 -26.1 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.754 1.222 . . . . 0.0 111.212 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.9 -25.64 62.0 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.28 1.032 . . . . 0.0 113.191 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -79.25 -26.75 42.39 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -67.41 -28.29 67.79 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.604 1.162 . . . . 0.0 112.583 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -59.23 -21.62 59.83 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.433 1.093 . . . . 0.0 112.964 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.8 t -60.26 -28.99 68.5 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.232 -0.917 . . . . 0.0 111.943 175.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -61.06 -39.08 88.48 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.211 -0.931 . . . . 0.0 111.544 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -56.34 -49.43 74.37 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.723 0.809 . . . . 0.0 110.775 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -54.78 -53.18 58.45 Favored 'General case' 0 C--N 1.339 0.149 0 C-N-CA 123.46 0.704 . . . . 0.0 111.452 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.78 -39.52 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 118.387 0.539 . . . . 0.0 111.663 178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.44 -57.84 7.3 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.984 0.811 . . . . 0.0 113.186 175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.474 HG23 HD21 ' A' ' 97' ' ' LEU . 15.2 t -60.57 -41.31 94.36 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 121.472 -0.767 . . . . 0.0 112.128 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.581 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -65.55 -44.91 85.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.815 1.246 . . . . 0.0 111.747 176.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.28 74.69 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.829 0.852 . . . . 0.0 112.052 175.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -61.59 -42.84 99.43 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.78 -0.575 . . . . 0.0 111.951 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.504 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.1 mm-40 -64.73 -56.61 12.58 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.492 0.717 . . . . 0.0 112.322 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -56.68 -42.24 78.7 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.233 0.924 . . . . 0.0 111.732 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.82 -42.14 90.96 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 124.122 0.969 . . . . 0.0 111.411 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.37 -43.8 75.46 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 118.542 0.61 . . . . 0.0 111.195 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.466 HG11 ' HB3' ' A' ' 91' ' ' LEU . 5.0 t -65.3 -51.36 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.354 0.662 . . . . 0.0 111.515 175.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.02 -33.83 69.38 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.867 0.867 . . . . 0.0 112.333 -178.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -77.68 -33.65 53.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.966 1.306 . . . . 0.0 112.666 175.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 87' ' ' ALA . 1.0 OUTLIER -58.88 -29.47 67.02 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.649 1.18 . . . . 0.0 111.905 176.068 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 43.6 mt -53.64 -44.38 69.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.856 1.262 . . . . 0.0 113.12 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -79.17 -18.76 52.49 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.706 1.202 . . . . 0.0 113.747 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -97.37 6.54 48.11 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.725 1.61 . . . . 0.0 113.188 175.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.59 92.88 5.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.29 1.836 . . . . 0.0 112.075 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -83.94 -19.86 33.95 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.518 1.127 . . . . 0.0 113.171 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 t -143.89 169.84 17.04 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.173 1.389 . . . . 0.0 112.289 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 48.1 t -59.62 -33.45 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.888 1.675 . . . . 0.0 112.252 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -52.83 -39.89 62.84 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.52 1.128 . . . . 0.0 112.634 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -78.28 -44.35 25.66 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.421 1.088 . . . . 0.0 112.326 174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 tp -55.51 -42.9 75.12 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.934 1.294 . . . . 0.0 112.609 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.03 -43.62 98.44 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.751 1.62 . . . . 0.0 112.505 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.71 -40.18 96.33 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.559 -0.713 . . . . 0.0 110.836 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 74' ' ' LEU . . . -61.45 -42.02 98.11 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.406 1.083 . . . . 0.0 112.583 174.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -30.16 63.9 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 174.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 m -75.41 -38.43 59.87 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.728 1.149 . . . . 0.0 111.631 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -60.76 -48.14 83.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.071 0.948 . . . . 0.0 111.15 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.5 OUTLIER -70.26 -35.34 73.71 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.197 0.599 . . . . 0.0 112.531 179.069 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -67.09 -54.6 19.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.423 1.089 . . . . 0.0 111.101 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -54.02 -26.21 33.86 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 126.588 2.042 . . . . 0.0 114.081 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 64' ' ' PHE . 8.2 mt -56.33 -32.26 64.51 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.211 1.006 . . . . 0.0 111.696 174.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -60.27 -31.77 70.54 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.969 1.259 . . . . 0.0 112.139 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 ttpp -67.95 -33.09 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 112.642 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD21 HG23 ' A' ' 63' ' ' THR . 18.6 tp -62.09 -52.17 64.97 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.06 1.344 . . . . 0.0 110.487 174.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.573 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.22 -44.87 91.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 118.961 -0.542 . . . . 0.0 110.573 175.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.85 -32.93 54.77 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.538 1.063 . . . . 0.0 113.481 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.76 -54.5 22.11 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.557 0.617 . . . . 0.0 112.23 175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.4 m -100.26 26.72 6.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.749 1.62 . . . . 0.0 113.068 -175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.48 HG23 HD11 ' A' ' 110' ' ' LEU . 7.3 p -60.12 -43.53 93.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 120.339 -1.476 . . . . 0.0 113.005 -174.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -75.47 -6.19 48.9 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.247 1.019 . . . . 0.0 112.686 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -96.7 -45.06 6.84 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.678 1.191 . . . . 0.0 111.464 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.573 HD12 HG23 ' A' ' 98' ' ' ILE . 88.1 mt -64.92 138.82 58.6 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.283 1.033 . . . . 0.0 111.871 175.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.98 155.33 31.35 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.239 0.615 . . . . 0.0 110.986 175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -31.89 48.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -67.72 -56.89 7.52 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.903 1.281 . . . . 0.0 110.985 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -38.6 89.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.33 1.452 . . . . 0.0 113.142 -175.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.48 HD11 HG23 ' A' ' 102' ' ' VAL . 3.1 tp -58.84 -52.56 65.19 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.759 1.223 . . . . 0.0 110.86 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -64.68 -28.78 69.83 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.303 1.041 . . . . 0.0 112.558 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -70.76 -36.82 73.27 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.107 1.363 . . . . 0.0 112.037 174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.09 -45.46 7.08 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.468 1.032 . . . . 0.0 113.668 178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -59.29 -45.79 90.32 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.231 -1.158 . . . . 0.0 112.629 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -68.16 -26.07 65.58 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.5 -36.54 82.87 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.587 -0.72 . . . . 0.0 112.633 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.3 mp -55.44 -43.44 75.39 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 119.493 1.042 . . . . 0.0 111.471 174.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.91 -32.95 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.385 1.074 . . . . 0.0 112.186 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -60.3 -41.82 94.23 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.465 1.106 . . . . 0.0 111.151 177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.28 -43.4 67.23 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.984 1.314 . . . . 0.0 110.85 175.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.09 -50.93 60.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.395 1.078 . . . . 0.0 112.947 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.7 -48.95 79.65 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.629 0.65 . . . . 0.0 112.499 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.93 73.58 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.477 0.711 . . . . 0.0 112.303 175.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 11.1 tp -67.93 -46.64 70.95 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.23 1.012 . . . . 0.0 109.536 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.86 -40.01 87.14 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.144 1.377 . . . . 0.0 113.016 -177.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -53.47 -44.32 68.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.646 1.178 . . . . 0.0 112.753 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.3 ttm-85 -82.78 -35.44 26.49 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.925 0.89 . . . . 0.0 112.423 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -53.71 -40.45 66.06 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.029 1.731 . . . . 0.0 111.863 175.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -51.58 -29.89 18.88 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.316 1.446 . . . . 0.0 114.29 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.86 -29.51 6.86 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.657 1.123 . . . . 0.0 113.888 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.3 mt -80.41 -61.38 1.99 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.088 1.355 . . . . 0.0 113.143 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -115.26 77.05 5.23 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.753 2.021 . . . . 0.0 110.066 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -70.66 167.83 24.47 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.787 2.325 . . . . 0.0 111.316 174.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 61.4 tttt -73.91 159.07 33.31 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.237 1.015 . . . . 0.0 111.123 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.252 1.204 0 C-N-CA 127.907 2.483 . . . . 0.0 113.189 177.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mtt . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 119.307 -0.377 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -69.74 166.04 28.89 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.474 2.783 . . . . 0.0 112.46 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.29 136.54 35.79 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.785 0.834 . . . . 0.0 111.527 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -124.17 160.25 28.28 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 126.411 1.884 . . . . 0.0 110.71 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 6.89 31.3 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.193 1.797 . . . . 0.0 113.877 -178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.4 tm0? -60.47 -28.47 68.36 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.79 1.636 . . . . 0.0 113.134 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -79.53 18.57 0.72 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.686 2.394 . . . . 0.0 115.418 178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -53.36 -31.57 45.15 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.209 1.404 . . . . 0.0 114.504 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -81.58 -27.9 34.07 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 174.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.8 tm0? -65.4 -45.92 82.08 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.629 1.572 . . . . 0.0 111.13 176.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -63.72 -25.22 68.1 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.595 -0.69 . . . . 0.0 112.401 174.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -79.76 -11.82 59.82 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -63.02 -25.6 68.46 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.957 1.253 . . . . 0.0 111.74 175.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mp -61.63 -21.16 64.13 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.959 0.904 . . . . 0.0 113.229 174.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -61.03 -23.51 65.48 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.289 1.036 . . . . 0.0 113.041 175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.65 -41.23 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.778 0.831 . . . . 0.0 109.337 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.87 -23.57 66.68 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.777 1.231 . . . . 0.0 113.666 175.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 42.4 mmt180 -50.52 -46.81 57.52 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 124.566 1.146 . . . . 0.0 112.075 175.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -62.76 -23.89 67.43 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.778 1.631 . . . . 0.0 113.666 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -92.47 -30.56 15.65 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.06 1.744 . . . . 0.0 112.777 175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -78.88 -4.84 51.71 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.868 2.067 . . . . 0.0 112.943 175.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -49.5 131.75 20.9 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.431 1.492 . . . . 0.0 111.45 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -104.87 177.88 4.72 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.689 1.996 . . . . 0.0 111.126 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -58.5 157.18 9.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.334 1.453 . . . . 0.0 111.656 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -58.12 -19.4 32.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -67.87 -20.51 65.14 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 175.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -82.94 -11.86 57.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.573 1.149 . . . . 0.0 113.434 174.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.4 -21.73 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.112 0.965 . . . . 0.0 111.304 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -58.41 -26.32 63.13 Favored 'General case' 0 N--CA 1.472 0.643 0 O-C-N 120.884 -1.135 . . . . 0.0 113.129 174.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -62.43 -17.72 60.0 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.962 1.705 . . . . 0.0 113.672 175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -63.76 -18.2 63.82 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 174.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -59.82 -20.78 58.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.108 -0.995 . . . . 0.0 112.024 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -62.34 -30.7 71.36 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.166 0.986 . . . . 0.0 111.353 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -63.24 -40.74 98.29 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.816 0.847 . . . . 0.0 110.971 175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.02 -50.3 71.29 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.759 0.824 . . . . 0.0 110.971 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -55.23 -53.54 54.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 123.507 0.723 . . . . 0.0 111.533 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 88.3 t -54.99 -40.33 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 123.19 0.596 . . . . 0.0 110.96 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.08 -57.04 10.79 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.085 0.954 . . . . 0.0 112.762 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.434 HG23 HD21 ' A' ' 97' ' ' LEU . 14.8 t -62.92 -39.61 95.09 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.593 0.757 . . . . 0.0 112.303 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CD1' HD22 ' A' ' 94' ' ' LEU . 53.7 t80 -64.07 -47.59 79.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.077 1.351 . . . . 0.0 111.546 175.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.98 78.26 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.71 0.804 . . . . 0.0 111.566 175.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -63.97 -41.61 97.5 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' HB2' HD21 ' A' ' 94' ' ' LEU . 53.7 mm-40 -67.6 -55.05 14.9 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.468 0.707 . . . . 0.0 111.868 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -55.63 -42.36 74.84 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 118.855 0.752 . . . . 0.0 111.231 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.69 -47.7 84.58 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.877 0.871 . . . . 0.0 111.166 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.18 -46.84 79.2 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.749 0.704 . . . . 0.0 111.85 178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.9 t -63.8 -50.89 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 118.602 0.637 . . . . 0.0 112.031 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.96 -29.92 69.94 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.727 1.211 . . . . 0.0 112.231 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -80.84 -34.83 33.54 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.13 1.372 . . . . 0.0 112.465 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 87' ' ' ALA . 4.9 tt -59.25 -26.29 64.78 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.72 1.208 . . . . 0.0 111.373 175.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.2 mt -54.77 -32.06 59.56 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.24 1.016 . . . . 0.0 112.814 175.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.74 -34.82 34.09 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 119.031 0.832 . . . . 0.0 112.165 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.26 -17.65 61.31 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.912 1.285 . . . . 0.0 113.842 175.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.82 82.06 0.46 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.727 1.611 . . . . 0.0 112.947 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -70.51 -29.31 65.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.148 1.379 . . . . 0.0 113.444 175.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.3 m -140.95 167.21 22.72 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.255 1.422 . . . . 0.0 112.225 -177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.97 -28.99 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 125.061 1.344 . . . . 0.0 112.241 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -54.88 -50.39 68.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.609 1.163 . . . . 0.0 112.814 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -68.96 -32.7 72.47 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.253 1.021 . . . . 0.0 112.381 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD13 HD12 ' A' ' 131' ' ' LEU . 2.6 tp -59.27 -47.79 84.03 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.882 0.873 . . . . 0.0 111.874 175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.14 -41.67 84.23 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.219 1.008 . . . . 0.0 112.733 176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -60.41 -49.69 76.58 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.059 0.944 . . . . 0.0 112.01 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -55.33 -38.66 69.02 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.523 -0.736 . . . . 0.0 112.928 175.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -64.68 -26.01 68.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 174.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -81.12 -40.31 24.23 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.131 -0.981 . . . . 0.0 111.024 174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 -56.96 -44.33 82.47 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.891 -0.506 . . . . 0.0 112.024 174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.4 80.11 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 175.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -65.54 -24.49 67.13 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.325 0.966 . . . . 0.0 112.936 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.38 -26.5 63.46 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.425 1.012 . . . . 0.0 113.634 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 64' ' ' PHE . 6.6 mt -61.47 -31.87 71.85 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.61 1.205 . . . . 0.0 112.915 177.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -62.75 -31.14 72.03 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 120.003 1.274 . . . . 0.0 112.148 -179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -64.65 -35.48 81.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.859 1.664 . . . . 0.0 112.527 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HG23 ' A' ' 63' ' ' THR . 20.6 tp -60.15 -53.89 52.4 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.699 1.6 . . . . 0.0 110.795 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.513 HG23 HD12 ' A' ' 105' ' ' LEU . 2.8 mp -65.0 -45.94 93.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.936 -0.554 . . . . 0.0 110.39 176.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -53.55 -31.63 47.33 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.496 1.118 . . . . 0.0 113.622 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.05 -45.94 69.14 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 m -105.81 24.57 12.09 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.317 1.847 . . . . 0.0 112.949 -176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.71 -41.79 91.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 120.378 -1.451 . . . . 0.0 113.191 -171.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -76.99 -5.69 49.65 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.792 1.237 . . . . 0.0 112.689 175.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -97.06 -45.97 6.36 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 110.871 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.513 HD12 HG23 ' A' ' 98' ' ' ILE . 95.9 mt -62.69 134.98 57.12 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.187 0.995 . . . . 0.0 111.278 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.99 157.14 13.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.235 0.614 . . . . 0.0 110.909 174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.8 -34.12 58.16 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.669 -0.644 . . . . 0.0 112.433 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -63.65 -57.67 9.32 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.401 1.48 . . . . 0.0 111.066 175.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.92 -38.58 86.45 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.905 1.282 . . . . 0.0 112.747 -175.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.76 -52.89 63.25 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.906 1.282 . . . . 0.0 109.453 174.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -61.7 -37.42 84.07 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.962 0.905 . . . . 0.0 113.216 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -63.74 -50.79 67.72 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.3 1.44 . . . . 0.0 112.297 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -67.11 -39.0 92.69 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 121.435 -0.79 . . . . 0.0 112.794 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -64.28 -50.67 67.0 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.719 -0.871 . . . . 0.0 112.713 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -65.38 -29.09 69.77 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.573 1.079 . . . . 0.0 113.775 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.93 84.84 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.835 1.254 . . . . 0.0 112.997 176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.49 -46.11 76.95 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.934 1.243 . . . . 0.0 111.265 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.72 -34.8 74.94 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.125 0.97 . . . . 0.0 111.644 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -57.62 -45.84 84.86 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.438 1.095 . . . . 0.0 111.464 176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.41 -43.57 80.93 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 111.09 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -62.77 -41.88 99.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.889 1.276 . . . . 0.0 112.611 178.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.96 -44.6 97.08 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.897 0.879 . . . . 0.0 112.376 175.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.78 72.91 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.576 -0.703 . . . . 0.0 112.528 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 11.4 tp -68.06 -39.61 82.95 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 121.162 -0.961 . . . . 0.0 112.213 174.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -64.56 -28.74 69.85 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 175.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -69.42 -37.63 77.51 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.018 0.927 . . . . 0.0 111.131 175.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -63.68 -36.35 83.57 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.265 1.026 . . . . 0.0 112.361 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -53.2 -36.98 61.57 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 118.192 -0.909 . . . . 0.0 112.434 174.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -22.79 62.2 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -105.75 -21.0 8.93 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 125.586 1.565 . . . . 0.0 114.276 175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.494 HD12 HD13 ' A' ' 84' ' ' LEU . 74.2 mt -92.7 -76.18 0.47 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.936 1.694 . . . . 0.0 112.302 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -69.98 137.15 87.29 Favored Pre-proline 0 CA--C 1.555 1.144 0 C-N-CA 126.153 1.781 . . . . 0.0 111.974 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.5 167.9 25.79 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.97 2.447 . . . . 0.0 112.334 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.55 127.1 35.54 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.176 0.991 . . . . 0.0 111.437 176.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt . . . . . 0 C--O 1.252 1.186 0 C-N-CA 124.82 1.248 . . . . 0.0 113.341 175.003 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 73.2 mmm . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 119.01 -0.519 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.82 163.82 31.91 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.057 2.505 . . . . 0.0 112.222 176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -105.52 143.31 33.85 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.978 1.311 . . . . 0.0 111.56 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -154.71 167.62 29.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.985 1.714 . . . . 0.0 111.5 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.22 7.85 15.38 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.444 1.898 . . . . 0.0 113.688 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -65.29 163.45 15.39 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.264 1.425 . . . . 0.0 112.685 174.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.67 1.33 50.96 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.874 1.67 . . . . 0.0 114.047 -179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -50.78 -32.92 21.31 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.031 1.732 . . . . 0.0 113.739 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -59.57 -30.99 69.03 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -74.4 -37.53 63.37 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.14 1.376 . . . . 0.0 111.653 174.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -73.82 -33.34 64.11 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.352 -0.843 . . . . 0.0 111.878 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -61.11 -19.53 61.58 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.452 1.501 . . . . 0.0 113.423 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -54.41 -49.09 70.77 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.507 1.123 . . . . 0.0 111.122 175.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -68.27 -29.65 68.49 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 176.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -70.51 -51.41 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.265 1.026 . . . . 0.0 111.964 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -67.36 -30.79 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.598 -0.689 . . . . 0.0 112.618 176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.01 -31.34 69.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.009 0.924 . . . . 0.0 113.395 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -66.49 -51.94 51.42 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.749 0.819 . . . . 0.0 110.716 175.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -58.04 -32.58 68.12 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 174.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.8 tptp -64.02 -24.14 67.6 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -92.02 -21.63 20.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.548 1.539 . . . . 0.0 113.726 176.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -76.14 139.06 41.11 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.667 1.587 . . . . 0.0 111.894 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mmm-85 -67.68 95.89 0.52 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.461 1.904 . . . . 0.0 112.46 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 24.3 mm100 -143.57 166.39 24.95 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.561 1.944 . . . . 0.0 111.799 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -59.04 -25.83 64.05 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.083 0.953 . . . . 0.0 113.24 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -65.9 -15.51 63.01 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -72.52 -23.72 61.05 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.206 -0.933 . . . . 0.0 112.76 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 30.6 t -66.79 -26.41 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.839 1.256 . . . . 0.0 111.632 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -63.68 -22.85 67.12 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.263 1.025 . . . . 0.0 113.177 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -66.63 -20.27 65.96 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.174 1.39 . . . . 0.0 113.647 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.65 -32.3 65.23 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.28 1.032 . . . . 0.0 112.551 177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -78.12 -45.1 24.24 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.974 0.91 . . . . 0.0 111.562 174.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.6 t -62.79 -34.74 77.89 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.218 -0.926 . . . . 0.0 111.605 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -58.04 -37.85 75.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.445 1.098 . . . . 0.0 112.251 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -56.87 -48.87 77.12 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.58 0.752 . . . . 0.0 111.315 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -54.25 -53.25 56.23 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.438 0.695 . . . . 0.0 111.517 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 51.7 t -54.55 -39.87 47.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 CA-C-N 118.211 0.46 . . . . 0.0 111.319 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.52 -55.63 16.76 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 175.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.412 HG23 HD21 ' A' ' 97' ' ' LEU . 13.0 t -62.11 -40.04 94.55 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.119 -0.988 . . . . 0.0 112.246 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' CD2' HD22 ' A' ' 94' ' ' LEU . 37.1 t80 -63.81 -45.4 89.8 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.041 1.336 . . . . 0.0 111.327 175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.16 80.03 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.468 1.107 . . . . 0.0 112.927 175.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.62 -41.44 99.01 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.653 -0.655 . . . . 0.0 112.327 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.5 mm-40 -68.84 -54.22 16.98 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.755 0.822 . . . . 0.0 112.836 176.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -54.34 -43.78 71.55 Favored 'General case' 0 N--CA 1.482 1.167 0 CA-C-N 119.415 1.007 . . . . 0.0 111.067 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.64 98.24 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.487 1.115 . . . . 0.0 112.151 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.27 -49.1 78.3 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.614 0.643 . . . . 0.0 111.514 176.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.6 t -61.33 -47.3 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 CA-C-N 118.883 0.765 . . . . 0.0 112.042 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.39 -37.48 78.1 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.268 1.027 . . . . 0.0 111.93 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -73.49 -38.35 65.41 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.055 -1.028 . . . . 0.0 112.06 175.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tt -61.83 -51.31 68.75 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.765 1.226 . . . . 0.0 110.53 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 pp -63.38 -34.69 78.28 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.65 -37.73 82.83 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.337 -0.852 . . . . 0.0 112.551 175.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -80.8 -22.15 40.3 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 176.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.63 110.79 1.06 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.082 1.753 . . . . 0.0 113.089 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -96.5 -10.48 27.28 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.32 1.448 . . . . 0.0 114.097 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 67.0 m -137.64 161.45 36.45 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.425 1.89 . . . . 0.0 111.286 -177.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.37 -29.44 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.447 1.099 . . . . 0.0 112.234 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -54.38 -58.25 8.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.708 1.203 . . . . 0.0 112.868 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -69.36 -33.19 72.7 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.639 0.776 . . . . 0.0 112.651 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.7 tp -57.65 -52.19 66.45 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.701 1.2 . . . . 0.0 111.094 174.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -65.86 -33.41 75.78 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.265 -0.897 . . . . 0.0 112.991 175.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -61.61 -45.54 93.64 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 121.082 -1.012 . . . . 0.0 112.116 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.61 -34.18 64.65 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 121.323 -0.861 . . . . 0.0 112.568 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.35 -20.63 65.6 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.4 t -85.6 -38.21 18.68 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.232 1.413 . . . . 0.0 110.477 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -58.45 -46.38 86.68 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.093 0.957 . . . . 0.0 112.257 175.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.38 -28.19 68.45 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -26.42 67.86 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.057 0.943 . . . . 0.0 112.611 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -80.37 -23.76 60.21 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.097 1.332 . . . . 0.0 113.687 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 117' ' ' LEU . 6.4 mt -64.54 -34.3 77.91 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.929 1.365 . . . . 0.0 111.994 174.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.88 -34.08 77.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.333 0.97 . . . . 0.0 111.214 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.2 tptm -62.38 -36.39 82.12 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.352 1.861 . . . . 0.0 113.087 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.412 HD21 HG23 ' A' ' 63' ' ' THR . 30.0 tp -58.78 -50.59 73.38 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.173 1.389 . . . . 0.0 110.696 175.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.477 HG23 HD12 ' A' ' 105' ' ' LEU . 4.1 mp -67.79 -43.82 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.254 175.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -52.6 -35.05 53.6 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.313 0.96 . . . . 0.0 113.038 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -68.97 -52.4 29.38 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.593 0.757 . . . . 0.0 112.719 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.9 m -99.47 24.36 8.24 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.828 1.651 . . . . 0.0 113.44 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.704 HG23 HD21 ' A' ' 110' ' ' LEU . 11.7 p -59.53 -45.75 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 125.366 1.466 . . . . 0.0 112.587 -172.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -75.44 -5.82 46.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.299 1.04 . . . . 0.0 113.002 177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -95.46 -47.14 6.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 111.088 178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.477 HD12 HG23 ' A' ' 98' ' ' ILE . 39.6 mt -61.37 136.4 58.03 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.522 1.129 . . . . 0.0 112.039 175.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.24 156.77 21.13 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.677 0.791 . . . . 0.0 111.244 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.08 -32.95 23.9 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 124.205 1.002 . . . . 0.0 113.523 176.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -67.93 -61.65 1.77 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.573 1.549 . . . . 0.0 110.859 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.34 70.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.494 1.518 . . . . 0.0 112.95 -176.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.704 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -59.4 -59.91 4.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.148 1.379 . . . . 0.0 109.581 175.004 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -63.59 -32.22 73.62 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.884 1.274 . . . . 0.0 113.016 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -61.49 -51.79 67.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.537 1.135 . . . . 0.0 111.113 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.06 -49.96 63.65 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 123.54 0.591 . . . . 0.0 112.981 177.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -59.92 -37.03 78.3 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.415 -1.05 . . . . 0.0 113.426 178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.64 -38.69 82.06 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.3 0.955 . . . . 0.0 113.559 175.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 64' ' ' PHE . . . -61.23 -48.99 78.92 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.105 0.962 . . . . 0.0 112.563 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 94' ' ' LEU . 7.1 mp -52.42 -46.83 66.52 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.958 1.254 . . . . 0.0 112.664 175.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.41 -39.45 92.19 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.517 0.727 . . . . 0.0 111.937 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -57.99 -48.43 80.03 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.769 1.228 . . . . 0.0 112.038 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.2 mt -67.46 -36.25 80.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.642 0.777 . . . . 0.0 112.073 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -57.69 -43.53 85.21 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.016 0.926 . . . . 0.0 111.648 174.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.61 -44.88 92.65 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.455 0.702 . . . . 0.0 112.875 175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.93 -39.37 68.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.616 0.766 . . . . 0.0 112.436 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.5 mt -65.75 -51.49 58.71 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.644 0.778 . . . . 0.0 112.232 175.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.43 -39.44 76.23 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 122.612 0.365 . . . . 0.0 111.94 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -58.25 -41.29 83.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.969 1.307 . . . . 0.0 112.918 174.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.6 mmt-85 -72.97 -37.14 67.18 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.926 0.785 . . . . 0.0 112.071 175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -57.38 -31.97 66.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.539 1.136 . . . . 0.0 113.435 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -58.25 -28.74 65.18 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 126.247 1.819 . . . . 0.0 113.737 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -96.02 -32.02 7.0 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.748 1.166 . . . . 0.0 113.73 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.1 mt -77.42 -69.86 0.51 Allowed 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.354 1.462 . . . . 0.0 112.539 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -72.95 136.76 79.64 Favored Pre-proline 0 CA--C 1.549 0.941 0 C-N-CA 124.943 1.297 . . . . 0.0 110.649 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -71.88 83.84 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.946 0 C-N-CA 123.454 2.769 . . . . 0.0 112.132 174.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -68.15 140.28 56.15 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.837 1.255 . . . . 0.0 110.661 175.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.197 0 C-N-CA 126.276 1.831 . . . . 0.0 110.365 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.046 -0.502 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -67.64 122.08 9.22 Favored 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 123.939 3.092 . . . . 0.0 112.378 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.06 -0.21 29.01 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.843 1.657 . . . . 0.0 114.099 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -64.74 -50.28 67.49 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.318 1.447 . . . . 0.0 112.883 176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.05 139.57 39.1 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.859 1.263 . . . . 0.0 112.301 -176.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -100.69 98.81 9.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.464 1.505 . . . . 0.0 111.074 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.2 15.41 25.15 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 126.358 1.863 . . . . 0.0 113.949 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -51.28 -39.76 57.48 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.268 1.427 . . . . 0.0 112.651 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.34 -38.11 89.87 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.769 1.228 . . . . 0.0 113.424 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -66.11 -43.19 87.95 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.252 1.021 . . . . 0.0 111.377 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -65.47 -43.9 88.84 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.636 -0.665 . . . . 0.0 110.216 174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -60.4 -27.42 67.43 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.114 0.966 . . . . 0.0 113.479 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.4 tm0? -59.37 -35.8 74.59 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.713 1.205 . . . . 0.0 112.06 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.7 mt -78.34 -27.59 47.06 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -80.11 -41.96 24.5 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.564 1.146 . . . . 0.0 112.794 176.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.27 -37.12 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 O-C-N 121.285 -0.884 . . . . 0.0 111.093 175.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -72.18 -8.01 52.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.213 1.405 . . . . 0.0 114.333 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -97.23 -54.42 3.17 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.477 1.511 . . . . 0.0 109.469 174.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt85 -62.23 -16.73 55.31 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -55.9 -39.54 71.75 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.991 1.316 . . . . 0.0 112.981 175.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 pm0 -103.53 -19.45 14.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 114.317 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -71.81 160.9 31.79 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.611 1.165 . . . . 0.0 111.159 174.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.88 90.47 6.43 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.122 0.969 . . . . 0.0 109.431 174.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -63.55 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.07 2.148 . . . . 0.0 113.1 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -66.11 0.13 2.13 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -57.33 -27.8 62.55 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 120.751 -1.218 . . . . 0.0 113.312 177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.0 -23.5 65.02 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.041 1.336 . . . . 0.0 114.467 174.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.52 -31.9 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.748 1.219 . . . . 0.0 110.688 177.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.4 -19.36 65.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.93 0.892 . . . . 0.0 112.498 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -62.89 -26.45 68.8 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.085 0.954 . . . . 0.0 112.879 175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -69.45 -38.35 77.75 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.729 1.212 . . . . 0.0 112.795 176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -95.15 -38.75 10.45 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.666 1.186 . . . . 0.0 113.057 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.3 m -61.75 -28.37 69.39 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.015 -1.053 . . . . 0.0 111.993 175.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.57 -33.29 71.24 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.188 -0.945 . . . . 0.0 112.256 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -57.07 -51.06 70.77 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 119.198 0.908 . . . . 0.0 111.002 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -58.06 -55.34 36.19 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 123.746 0.818 . . . . 0.0 111.388 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.44 -40.05 56.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 118.627 0.649 . . . . 0.0 111.234 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.97 -59.4 4.88 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.364 1.065 . . . . 0.0 112.266 176.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.8 t -62.02 -39.73 93.29 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.247 0.619 . . . . 0.0 112.066 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -62.57 -52.62 62.7 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 125.3 1.44 . . . . 0.0 111.003 175.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.2 87.92 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.505 0.722 . . . . 0.0 112.547 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.19 -41.3 92.65 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.491 0.716 . . . . 0.0 112.424 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.2 mm-40 -67.56 -57.57 6.24 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.891 0.877 . . . . 0.0 111.647 175.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.2 -38.29 70.79 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.172 0.896 . . . . 0.0 112.552 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.72 -43.2 99.41 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.286 1.034 . . . . 0.0 112.691 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.37 95.67 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 118.471 0.578 . . . . 0.0 111.867 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.1 t -64.14 -46.32 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.336 0.654 . . . . 0.0 111.478 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.84 -35.43 74.72 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.117 0.967 . . . . 0.0 112.49 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -74.44 -31.78 62.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.004 0.922 . . . . 0.0 112.777 175.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.33 -27.33 67.26 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.231 1.012 . . . . 0.0 111.924 175.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 69.1 mt -54.31 -44.84 72.34 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.639 1.176 . . . . 0.0 113.176 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.07 -34.37 63.99 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.301 1.041 . . . . 0.0 112.907 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.18 -9.38 58.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.157 1.383 . . . . 0.0 114.052 176.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.82 67.63 9.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.321 1.449 . . . . 0.0 112.481 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -73.6 -10.09 59.34 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.006 -1.059 . . . . 0.0 112.053 175.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.7 p -135.37 149.97 49.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 127.306 2.242 . . . . 0.0 111.535 -175.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.0 t -57.55 -37.26 57.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.256 1.022 . . . . 0.0 111.456 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -59.92 -26.94 66.34 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.452 1.501 . . . . 0.0 113.608 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -93.35 -34.0 13.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.299 1.04 . . . . 0.0 111.508 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 tp -63.9 -48.71 75.56 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.25 1.42 . . . . 0.0 112.91 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.82 -33.39 74.05 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.097 0.959 . . . . 0.0 112.501 -178.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -65.06 -41.59 94.98 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.281 1.032 . . . . 0.0 111.528 174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.44 -37.21 72.45 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.044 0.938 . . . . 0.0 112.266 175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.31 81.99 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.66 -0.65 . . . . 0.0 112.222 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.7 t -69.97 -39.94 75.66 Favored 'General case' 0 N--CA 1.468 0.439 0 O-C-N 120.837 -1.164 . . . . 0.0 111.353 176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -58.61 -47.36 84.61 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.611 -0.68 . . . . 0.0 111.889 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -39.15 93.36 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.13 0.572 . . . . 0.0 112.199 176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -62.13 -35.16 77.89 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.445 -0.784 . . . . 0.0 112.6 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -68.34 -30.46 73.46 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.355 1.455 . . . . 0.0 114.041 176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.4 HD21 ' HB2' ' A' ' 67' ' ' GLU . 6.8 mt -61.26 -27.43 68.45 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 118.372 1.086 . . . . 0.0 113.506 176.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -63.08 -35.54 80.61 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.611 1.096 . . . . 0.0 111.865 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.9 tttm -64.61 -28.0 69.33 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.54 1.536 . . . . 0.0 113.133 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 34.7 tp -65.01 -51.86 59.3 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.115 1.366 . . . . 0.0 110.505 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.479 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -64.41 -42.92 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.637 0.653 . . . . 0.0 109.663 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -52.79 -37.63 60.03 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.238 1.015 . . . . 0.0 113.134 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -64.79 -54.49 30.42 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.538 0.735 . . . . 0.0 111.804 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -95.19 22.25 6.96 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.776 1.631 . . . . 0.0 113.523 -173.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.488 HG23 HD21 ' A' ' 110' ' ' LEU . 10.9 p -62.88 -43.37 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 120.549 -1.344 . . . . 0.0 112.704 -171.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -75.34 -2.71 29.61 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.051 0.94 . . . . 0.0 112.716 174.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -100.53 -44.26 5.92 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.366 1.066 . . . . 0.0 111.394 -179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.479 HD12 HG23 ' A' ' 98' ' ' ILE . 77.0 mt -65.2 138.77 58.46 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.422 1.089 . . . . 0.0 112.487 177.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.56 160.12 20.25 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.686 0.794 . . . . 0.0 110.922 174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.99 -37.44 32.54 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.105 0.962 . . . . 0.0 113.129 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -63.96 -59.75 4.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.294 1.437 . . . . 0.0 111.439 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.39 -31.93 73.22 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.13 1.372 . . . . 0.0 112.326 -174.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.488 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -56.62 -58.72 6.87 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.915 1.686 . . . . 0.0 109.143 174.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -67.24 -29.25 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.972 0.909 . . . . 0.0 113.327 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -62.66 -53.96 46.67 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.239 1.016 . . . . 0.0 111.526 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.02 -47.79 84.61 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 123.569 0.604 . . . . 0.0 112.507 177.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.75 -43.14 99.43 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.185 0.994 . . . . 0.0 112.965 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.65 -42.29 96.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.313 1.045 . . . . 0.0 113.158 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.54 -36.69 83.44 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.0 0.92 . . . . 0.0 112.959 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.8 -44.96 86.66 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.887 1.221 . . . . 0.0 110.564 174.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.92 -34.81 75.26 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 111.719 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -58.73 -46.42 87.43 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.503 1.121 . . . . 0.0 111.616 177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.33 -46.04 81.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.699 1.199 . . . . 0.0 110.681 176.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -62.53 -43.45 98.79 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.271 . . . . 0.0 112.741 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.16 90.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.511 1.124 . . . . 0.0 112.226 175.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.38 -38.46 89.69 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.746 -0.596 . . . . 0.0 112.437 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.2 tp -67.53 -35.44 79.08 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.241 1.016 . . . . 0.0 112.653 174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.28 -14.08 59.91 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.647 1.179 . . . . 0.0 113.919 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -91.42 -44.84 8.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.346 1.458 . . . . 0.0 111.345 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.87 -42.31 94.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.387 0.675 . . . . 0.0 111.446 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -56.88 -37.77 71.84 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.221 0.822 . . . . 0.0 113.221 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.76 -26.36 63.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.0 1.72 . . . . 0.0 114.395 177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.12 -18.14 29.98 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 124.726 1.155 . . . . 0.0 114.136 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.2 mt -96.93 -68.62 0.79 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.39 1.876 . . . . 0.0 112.249 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -73.21 157.4 88.33 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 125.123 1.369 . . . . 0.0 112.767 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -72.32 119.05 5.9 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.614 2.876 . . . . 0.0 112.46 176.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -137.21 152.23 49.64 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.153 1.781 . . . . 0.0 110.863 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 65.2 pttt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.787 2.035 . . . . 0.0 112.715 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 26.5 mtt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 119.33 -0.367 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -73.84 -10.66 23.37 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.566 2.844 . . . . 0.0 114.353 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 59.84 22.12 11.05 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 126.752 2.021 . . . . 0.0 114.293 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -76.72 166.98 22.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.668 1.987 . . . . 0.0 113.267 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.3 mt -81.07 85.86 6.23 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.62 1.568 . . . . 0.0 110.962 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -131.99 79.14 1.85 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.956 1.302 . . . . 0.0 111.097 -176.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -141.69 155.48 45.67 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.09 1.756 . . . . 0.0 112.644 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -65.36 -24.47 67.25 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.588 1.155 . . . . 0.0 113.256 176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.33 -25.48 49.16 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.254 1.022 . . . . 0.0 112.726 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -60.18 -18.95 51.66 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.842 0.747 . . . . 0.0 112.353 175.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 53.1 tt0 -59.57 -27.65 66.44 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.137 1.335 . . . . 0.0 111.46 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -15.2 34.08 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.47 1.108 . . . . 0.0 112.497 175.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.34 -24.96 61.34 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.718 0.807 . . . . 0.0 111.458 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.87 -20.26 49.47 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.5 1.12 . . . . 0.0 113.615 175.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -61.84 -23.49 66.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.62 1.168 . . . . 0.0 111.089 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.7 p -57.48 -28.65 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.026 0.93 . . . . 0.0 111.392 175.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 73.7 tt0 -57.48 -28.46 63.42 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.387 1.075 . . . . 0.0 113.051 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -75.38 -56.17 4.98 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.561 1.144 . . . . 0.0 109.602 175.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.23 -18.69 65.34 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.179 1.392 . . . . 0.0 113.887 -177.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -35.4 73.25 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.194 1.798 . . . . 0.0 111.994 175.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -87.21 -19.96 27.63 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.901 1.281 . . . . 0.0 113.671 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -76.4 151.18 36.64 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.118 1.767 . . . . 0.0 111.513 176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -80.02 82.89 6.01 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.077 0.951 . . . . 0.0 110.05 175.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -102.21 139.24 38.09 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.038 1.735 . . . . 0.0 109.409 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -57.41 -23.63 50.57 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 121.109 -0.995 . . . . 0.0 113.568 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -63.53 -20.96 66.05 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.863 1.265 . . . . 0.0 114.298 175.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -65.62 -15.85 63.15 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.177 0.991 . . . . 0.0 113.298 175.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.1 t -79.12 -23.18 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.945 1.298 . . . . 0.0 112.244 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -62.51 -23.89 67.19 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 120.788 -1.195 . . . . 0.0 112.766 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -59.82 -15.76 23.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.701 2.001 . . . . 0.0 113.438 176.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.8 -27.0 69.01 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.959 0.904 . . . . 0.0 111.258 177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.95 -18.4 65.21 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.289 1.036 . . . . 0.0 112.801 175.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.4 m -64.69 -30.62 71.64 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 120.785 -1.197 . . . . 0.0 111.034 174.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -66.93 -38.16 85.66 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 120.994 -1.066 . . . . 0.0 110.934 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -59.16 -44.34 92.13 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.628 0.771 . . . . 0.0 111.709 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -53.7 -53.43 52.24 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.434 0.693 . . . . 0.0 112.082 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.5 t -55.9 -40.64 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 118.372 0.533 . . . . 0.0 111.159 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.77 -55.91 22.28 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 175.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.407 HG23 HD21 ' A' ' 97' ' ' LEU . 15.3 t -62.59 -40.09 95.82 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.249 -0.907 . . . . 0.0 112.216 179.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -63.12 -45.2 93.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.393 1.077 . . . . 0.0 111.091 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.59 -47.38 84.49 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.391 1.076 . . . . 0.0 113.171 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -60.88 -39.33 88.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.666 0.786 . . . . 0.0 112.584 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' HB2' HD21 ' A' ' 94' ' ' LEU . 56.3 mm-40 -71.18 -56.93 5.07 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.258 0.623 . . . . 0.0 111.577 174.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.87 -39.12 65.41 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.384 0.993 . . . . 0.0 112.123 -176.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.7 -47.92 84.11 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.493 1.117 . . . . 0.0 112.514 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.1 98.27 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.487 0.715 . . . . 0.0 111.726 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG22 ' HB3' ' A' ' 90' ' ' ARG . 24.1 t -60.84 -50.02 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.882 0.873 . . . . 0.0 110.718 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.03 -40.29 76.44 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.019 1.327 . . . . 0.0 111.82 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -69.04 -33.79 74.16 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.653 -0.654 . . . . 0.0 112.708 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.46 -31.59 70.58 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.551 1.14 . . . . 0.0 112.124 175.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 41.7 mt -54.71 -54.12 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.737 1.215 . . . . 0.0 112.231 176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.67 -33.31 66.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.17 0.988 . . . . 0.0 113.063 176.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 71.4 mtm180 -67.24 -23.1 65.67 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.43 86.54 0.44 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.851 1.26 . . . . 0.0 112.831 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -74.94 -19.09 60.27 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.873 1.669 . . . . 0.0 113.301 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.7 p -135.07 160.6 37.81 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.259 1.824 . . . . 0.0 111.953 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 57.4 t -56.47 -36.96 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 123.941 0.897 . . . . 0.0 111.572 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -53.37 -52.0 60.67 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.283 1.033 . . . . 0.0 112.295 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.84 -30.5 69.9 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.826 0.85 . . . . 0.0 112.774 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.35 -40.86 97.78 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.028 0.931 . . . . 0.0 111.442 176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -61.39 -35.63 78.02 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.28 -44.68 94.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.35 -0.844 . . . . 0.0 112.625 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -51.97 -44.03 63.83 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.118 0.872 . . . . 0.0 112.603 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB2' ' CD2' ' A' ' 124' ' ' LEU . . . -63.4 -34.8 78.53 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 175.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.4 t -73.08 -39.67 65.66 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.637 -1.29 . . . . 0.0 111.671 178.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.501 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.1 mmm180 -59.45 -45.99 90.01 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.701 0.801 . . . . 0.0 111.948 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -36.02 79.91 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -60.09 -26.42 66.18 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.323 -0.861 . . . . 0.0 113.136 176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.84 -26.91 61.58 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.935 1.255 . . . . 0.0 113.989 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 67' ' ' GLU . 7.2 mt -64.92 -35.29 80.68 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.032 1.416 . . . . 0.0 112.794 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -31.56 71.24 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.093 0.86 . . . . 0.0 112.19 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.58 -32.41 73.97 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.974 1.71 . . . . 0.0 113.57 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.407 HD21 HG23 ' A' ' 63' ' ' THR . 18.7 tp -59.42 -50.48 73.79 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.148 1.379 . . . . 0.0 109.791 175.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.588 HG21 HE22 ' A' ' 114' ' ' GLN . 3.4 mp -70.17 -42.44 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 118.69 -0.672 . . . . 0.0 111.689 175.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -53.79 -31.41 48.85 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 119.213 0.915 . . . . 0.0 112.574 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -70.41 -55.18 9.68 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.997 0.919 . . . . 0.0 111.929 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.2 m -96.46 23.27 6.95 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.886 1.675 . . . . 0.0 113.932 -175.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 -43.04 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 120.308 -1.495 . . . . 0.0 113.4 -172.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -77.41 -5.66 50.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.383 1.073 . . . . 0.0 112.8 176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -95.16 -47.42 6.36 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.516 1.126 . . . . 0.0 111.405 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.453 HD12 HG23 ' A' ' 98' ' ' ILE . 59.4 mt -61.93 136.81 58.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.855 0.862 . . . . 0.0 112.053 176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.06 160.65 23.37 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.48 0.712 . . . . 0.0 111.138 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.72 -34.29 62.23 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 177.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -63.19 -59.44 4.74 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.01 1.724 . . . . 0.0 111.192 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.04 -36.97 84.67 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.21 1.404 . . . . 0.0 112.502 -175.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.0 -49.29 78.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.124 1.37 . . . . 0.0 110.477 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -63.4 -36.16 82.81 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.727 0.811 . . . . 0.0 113.113 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -62.4 -52.66 62.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.667 1.187 . . . . 0.0 112.138 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.94 95.34 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 123.906 0.765 . . . . 0.0 113.338 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.588 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.44 -37.46 85.23 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.732 -0.864 . . . . 0.0 112.745 -178.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -62.78 -39.3 93.79 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.657 1.117 . . . . 0.0 113.046 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.75 97.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.018 0.927 . . . . 0.0 112.518 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.5 -45.24 81.11 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.587 1.155 . . . . 0.0 111.793 175.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.77 -34.52 76.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.467 0.707 . . . . 0.0 112.278 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -58.0 -50.44 73.39 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.21 1.004 . . . . 0.0 111.274 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 22.4 mt -61.63 -42.04 98.32 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.489 1.116 . . . . 0.0 110.854 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.63 -50.21 65.88 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.413 1.485 . . . . 0.0 112.102 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.43 -38.51 91.41 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.402 1.081 . . . . 0.0 112.897 176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.74 89.85 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.544 0.738 . . . . 0.0 112.103 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.442 ' CD2' ' HB2' ' A' ' 88' ' ' ALA . 13.2 tp -62.06 -40.45 95.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.4 -0.812 . . . . 0.0 110.845 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.67 -16.8 58.76 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 124.892 1.277 . . . . 0.0 113.716 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -91.01 -37.55 13.38 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.133 -0.98 . . . . 0.0 110.391 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -34.33 74.91 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.996 0.918 . . . . 0.0 112.473 176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -37.61 50.83 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 124.476 1.11 . . . . 0.0 113.104 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -55.4 -23.54 25.23 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.152 2.181 . . . . 0.0 114.643 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.8 4.75 42.61 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 126.418 1.961 . . . . 0.0 114.705 176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -128.0 -70.6 0.69 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.811 2.044 . . . . 0.0 111.592 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -67.84 130.48 92.87 Favored Pre-proline 0 CA--C 1.548 0.882 0 C-N-CA 124.97 1.308 . . . . 0.0 109.357 175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -67.53 168.21 18.74 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.34 2.027 . . . . 0.0 112.446 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 174.01 7.19 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.518 1.927 . . . . 0.0 111.749 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.203 0 C-N-CA 125.828 1.651 . . . . 0.0 111.615 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 119.15 -0.453 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.48 88.18 0.51 Allowed 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 124.207 3.271 . . . . 0.0 112.221 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -143.93 138.43 28.51 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.28 1.832 . . . . 0.0 110.679 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -98.98 121.27 40.72 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.791 1.237 . . . . 0.0 110.558 174.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD23 ' H ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -95.58 164.78 12.64 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.388 1.875 . . . . 0.0 111.6 175.438 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -126.51 171.09 11.36 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.995 1.718 . . . . 0.0 112.107 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -62.47 135.04 57.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.264 1.425 . . . . 0.0 112.21 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.4 mtm180 -64.18 -38.62 91.73 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.451 0.7 . . . . 0.0 112.526 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -56.09 -31.16 62.98 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -71.56 -48.77 46.28 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.356 1.062 . . . . 0.0 111.307 174.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -62.48 -38.1 88.53 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.317 -0.865 . . . . 0.0 111.951 175.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -58.57 -20.09 43.84 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -53.79 25.0 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.731 0.812 . . . . 0.0 109.095 175.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.86 -26.41 64.19 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -58.29 -19.58 35.75 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.615 1.166 . . . . 0.0 113.676 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 p -58.57 -41.55 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 CA-C-N 118.823 0.738 . . . . 0.0 111.187 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.8 tp10 -66.61 -35.07 79.3 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.505 1.122 . . . . 0.0 112.473 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.6 mtp85 -63.17 -60.74 3.01 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.084 0.954 . . . . 0.0 109.796 174.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -58.1 -37.21 74.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.104 0.961 . . . . 0.0 113.132 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -58.72 -24.04 60.78 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.63 1.572 . . . . 0.0 114.516 174.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -111.51 -10.92 14.13 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.394 1.477 . . . . 0.0 113.769 175.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.6 ttpp -66.9 156.03 36.85 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.39 1.476 . . . . 0.0 111.363 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -105.18 25.83 10.1 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.203 2.201 . . . . 0.0 114.044 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -61.07 145.84 49.43 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.382 1.473 . . . . 0.0 112.415 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -59.39 -25.98 64.74 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 176.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -68.04 -17.15 64.32 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -82.68 -18.12 42.07 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.771 1.228 . . . . 0.0 112.448 175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.31 -22.51 27.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.17 0.988 . . . . 0.0 111.223 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -59.79 -22.77 62.63 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 120.982 -1.074 . . . . 0.0 113.48 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -69.32 -18.67 63.84 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.766 1.226 . . . . 0.0 113.236 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -79.47 -16.18 56.51 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.331 1.053 . . . . 0.0 113.166 175.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -62.97 -16.51 59.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.94 -1.1 . . . . 0.0 112.997 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.1 p -62.6 -34.76 77.66 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.047 -1.033 . . . . 0.0 111.168 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -64.53 -40.54 95.8 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.207 1.003 . . . . 0.0 111.416 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -56.07 -48.03 76.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.198 0.599 . . . . 0.0 111.449 176.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -54.73 -53.15 58.73 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 123.56 0.744 . . . . 0.0 111.613 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.9 t -54.94 -40.77 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 123.416 0.686 . . . . 0.0 110.602 177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.68 -55.0 22.84 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.018 0.927 . . . . 0.0 112.818 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.457 HG23 HD21 ' A' ' 97' ' ' LEU . 13.2 t -63.76 -39.14 93.54 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.639 0.776 . . . . 0.0 112.018 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.526 ' CD2' HD22 ' A' ' 94' ' ' LEU . 31.4 t80 -65.68 -45.47 82.74 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.06 0.944 . . . . 0.0 110.745 174.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.63 -49.93 71.54 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.739 1.216 . . . . 0.0 113.123 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -58.6 -43.62 89.62 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.265 0.626 . . . . 0.0 112.229 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.632 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -68.93 -52.29 30.79 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -56.63 -41.09 76.53 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.578 1.081 . . . . 0.0 111.546 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.6 91.51 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.946 0.898 . . . . 0.0 111.331 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.24 -39.64 75.94 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.931 0.787 . . . . 0.0 112.683 176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 90' ' ' ARG . 7.2 t -69.18 -48.14 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.49 1.116 . . . . 0.0 112.017 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -63.42 -42.69 98.72 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.54 1.136 . . . . 0.0 111.0 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -67.36 -31.04 71.02 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.126 1.37 . . . . 0.0 112.203 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.35 -52.27 64.29 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.952 0.901 . . . . 0.0 110.872 175.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.638 HD21 HD23 ' A' ' 124' ' ' LEU . 43.9 mt -59.26 -34.26 72.02 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.788 0.835 . . . . 0.0 112.986 178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -65.17 -22.54 66.92 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 174.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -117.68 4.45 12.31 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.771 1.628 . . . . 0.0 114.097 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.3 107.15 3.62 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.931 1.692 . . . . 0.0 112.542 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -108.54 -13.94 14.73 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.356 1.462 . . . . 0.0 113.844 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 40.3 m -137.0 155.85 49.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.635 1.574 . . . . 0.0 110.668 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 t -57.15 -30.93 35.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -60.88 -30.89 70.42 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.203 1.401 . . . . 0.0 113.736 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -82.32 -32.03 29.61 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.019 -1.051 . . . . 0.0 111.609 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD13 HD12 ' A' ' 131' ' ' LEU . 5.0 tp -68.99 -54.55 14.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.906 1.683 . . . . 0.0 112.252 176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -60.58 -35.27 75.68 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.946 0.898 . . . . 0.0 112.802 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -65.13 -39.87 93.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.567 1.147 . . . . 0.0 112.235 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB3' HD21 ' A' ' 124' ' ' LEU . . . -54.77 -43.13 72.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 123.918 0.887 . . . . 0.0 112.082 175.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.26 84.87 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.036 -1.04 . . . . 0.0 111.286 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.7 t -68.9 -23.43 64.19 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.333 -0.854 . . . . 0.0 111.805 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.535 ' HB2' HG22 ' A' ' 71' ' ' VAL . 19.9 mmm180 -76.18 -46.74 27.03 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 120.866 -1.146 . . . . 0.0 109.011 174.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.26 -31.58 71.16 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.076 0.95 . . . . 0.0 112.876 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -57.0 -28.97 62.92 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 120.943 -1.098 . . . . 0.0 113.229 179.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.54 -24.37 46.85 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 125.983 1.754 . . . . 0.0 114.616 175.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 67' ' ' GLU . 14.8 mt -64.15 -45.5 88.21 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 119.039 1.42 . . . . 0.0 111.854 174.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -58.07 -30.62 66.36 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.069 -1.019 . . . . 0.0 112.74 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -72.7 -31.91 65.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.437 1.495 . . . . 0.0 113.414 176.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.457 HD21 HG23 ' A' ' 63' ' ' THR . 19.0 tp -58.33 -52.97 63.34 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.802 1.241 . . . . 0.0 110.106 174.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.536 HG23 HD12 ' A' ' 105' ' ' LEU . 3.6 mp -63.45 -44.37 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 CA-C-O 118.919 -0.562 . . . . 0.0 110.572 174.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -52.44 -30.53 30.04 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.441 1.019 . . . . 0.0 113.586 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.92 -55.82 7.57 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.361 0.664 . . . . 0.0 112.256 175.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.7 p -92.78 20.23 6.74 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.681 1.992 . . . . 0.0 114.487 -178.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.43 -41.08 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 O-C-N 120.016 -1.678 . . . . 0.0 113.733 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -78.03 -6.39 54.41 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.313 1.045 . . . . 0.0 112.686 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -97.85 -48.78 5.05 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.829 1.252 . . . . 0.0 111.053 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.536 HD12 HG23 ' A' ' 98' ' ' ILE . 88.0 mt -60.97 132.0 52.44 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.696 1.198 . . . . 0.0 111.464 177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.1 156.94 16.91 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.357 0.663 . . . . 0.0 110.892 174.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.99 -34.61 56.91 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 112.724 0.639 . . . . 0.0 112.724 176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -63.4 -57.68 9.51 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.202 1.401 . . . . 0.0 111.314 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -38.13 87.58 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.593 1.557 . . . . 0.0 112.746 -175.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -51.04 71.64 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.944 1.298 . . . . 0.0 111.055 175.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -63.52 -35.24 79.8 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.659 1.184 . . . . 0.0 112.578 176.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -62.41 -45.65 92.13 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.473 1.109 . . . . 0.0 111.892 175.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.03 63.76 Favored Glycine 0 CA--C 1.534 1.263 0 CA-C-N 118.816 0.734 . . . . 0.0 113.345 176.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -62.16 -40.15 95.03 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.501 -1.0 . . . . 0.0 113.666 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.71 -38.17 84.13 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.813 1.188 . . . . 0.0 113.52 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.05 -40.91 87.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.175 0.99 . . . . 0.0 112.69 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.06 -48.95 75.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.566 1.146 . . . . 0.0 111.906 174.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.56 -33.16 72.28 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.3 1.04 . . . . 0.0 112.519 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -57.9 -42.69 85.24 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.124 0.97 . . . . 0.0 111.436 177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.531 HD13 ' HB ' ' A' ' 71' ' ' VAL . 9.4 mt -76.13 -38.24 57.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.693 1.197 . . . . 0.0 111.456 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -56.43 -44.86 80.81 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.205 1.402 . . . . 0.0 112.232 175.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -67.38 -40.23 85.7 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.375 -0.828 . . . . 0.0 112.926 176.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -32.31 70.54 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.197 0.599 . . . . 0.0 111.708 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.638 HD23 HD21 ' A' ' 75' ' ' LEU . 20.0 mt -65.54 -55.86 15.48 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.555 0.742 . . . . 0.0 111.657 174.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.12 64.79 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -62.58 -55.68 24.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.159 1.384 . . . . 0.0 112.162 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -68.43 -33.71 74.7 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 121.465 -0.772 . . . . 0.0 112.083 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -57.36 -33.3 67.65 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.624 1.569 . . . . 0.0 112.707 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.63 -21.35 60.32 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.512 1.125 . . . . 0.0 113.815 176.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -104.93 -39.99 2.22 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.6 1.572 . . . . 0.0 112.799 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.526 HD12 HD13 ' A' ' 84' ' ' LEU . 59.8 mt -79.2 -58.31 3.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.984 1.314 . . . . 0.0 113.957 -176.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -123.08 68.41 36.0 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.634 1.574 . . . . 0.0 111.02 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -65.61 115.17 3.23 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.448 2.766 . . . . 0.0 112.005 -176.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.08 10.61 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.369 1.468 . . . . 0.0 114.568 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 15.9 tptm . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.694 2.397 . . . . 0.0 111.741 -177.241 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.1 mtt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 119.251 -0.404 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.13 145.63 79.41 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.936 2.424 . . . . 0.0 112.022 177.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -147.04 159.85 43.09 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.794 1.638 . . . . 0.0 111.439 175.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -111.09 -68.28 0.94 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.798 1.639 . . . . 0.0 111.005 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -61.95 100.8 0.17 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.662 1.585 . . . . 0.0 111.358 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -56.54 148.95 18.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.601 1.16 . . . . 0.0 112.617 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -113.58 157.79 21.62 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 126.217 1.807 . . . . 0.0 111.034 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -57.76 -27.09 62.74 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 124.865 1.266 . . . . 0.0 113.157 178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -58.14 -20.89 44.05 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.857 1.663 . . . . 0.0 113.07 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -61.05 -26.91 67.96 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.048 -1.033 . . . . 0.0 112.071 174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -74.89 -43.76 52.56 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.391 1.076 . . . . 0.0 110.29 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -66.55 -14.83 62.86 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.41 1.084 . . . . 0.0 112.642 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.91 -27.44 65.25 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.597 1.159 . . . . 0.0 111.486 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.35 -20.39 66.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.324 1.049 . . . . 0.0 113.458 174.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -86.97 -24.76 24.6 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.941 1.296 . . . . 0.0 111.618 175.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.67 -24.55 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.546 1.139 . . . . 0.0 111.516 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -57.09 -28.04 62.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -73.16 -54.2 9.06 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.802 1.641 . . . . 0.0 110.82 175.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -65.92 -27.65 68.34 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 112.935 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -62.82 -24.44 67.76 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.371 1.868 . . . . 0.0 113.458 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -77.83 -20.79 52.53 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.588 1.155 . . . . 0.0 112.931 175.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.17 163.85 15.25 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.369 1.468 . . . . 0.0 110.75 176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -81.34 29.52 0.36 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.866 2.066 . . . . 0.0 112.92 -179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -67.57 167.19 13.43 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.595 1.558 . . . . 0.0 112.158 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -60.36 -22.81 63.72 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 120.611 -1.306 . . . . 0.0 113.284 176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -66.12 -18.71 65.52 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.97 -24.78 63.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.441 0.696 . . . . 0.0 112.633 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.05 -30.61 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 124.819 1.247 . . . . 0.0 112.277 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -61.65 -28.1 69.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.35 -0.844 . . . . 0.0 112.827 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -19.87 66.09 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.592 1.557 . . . . 0.0 113.904 177.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -59.85 -27.67 66.86 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.385 -0.822 . . . . 0.0 112.57 176.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 60.0 m-80 -67.01 -14.5 62.96 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 123.912 0.885 . . . . 0.0 113.296 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.0 p -64.33 -33.5 75.97 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 120.228 1.376 . . . . 0.0 111.438 175.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -60.08 -37.73 80.8 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.274 -0.891 . . . . 0.0 111.63 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -58.57 -49.35 77.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.182 0.593 . . . . 0.0 111.116 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -52.88 -54.06 39.96 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.725 0.81 . . . . 0.0 111.703 175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.5 t -54.95 -37.78 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-N 118.427 0.558 . . . . 0.0 111.378 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.2 -59.79 3.98 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.884 0.874 . . . . 0.0 112.559 174.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.42 HG23 HD21 ' A' ' 97' ' ' LEU . 13.8 t -61.16 -38.78 87.66 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.702 0.801 . . . . 0.0 112.442 -178.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CD1' HD22 ' A' ' 94' ' ' LEU . 59.0 t80 -63.82 -47.64 80.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.484 1.514 . . . . 0.0 111.971 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.34 -45.62 87.79 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.454 0.702 . . . . 0.0 112.426 175.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -58.34 -41.48 84.73 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.689 0.796 . . . . 0.0 112.839 177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.592 ' HB2' HD21 ' A' ' 94' ' ' LEU . 22.3 mm-40 -70.99 -49.85 40.73 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.838 0.855 . . . . 0.0 112.677 176.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HB2' HD11 ' A' ' 120' ' ' LEU . 22.1 ptt180 -63.3 -38.76 92.4 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.038 0.836 . . . . 0.0 112.104 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.0 -36.68 77.71 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.508 1.123 . . . . 0.0 112.174 175.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.98 97.59 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.97 0.508 . . . . 0.0 111.467 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.53 ' HB ' HD13 ' A' ' 120' ' ' LEU . 6.7 t -61.8 -45.96 97.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.62 1.168 . . . . 0.0 111.509 175.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -63.09 -41.37 99.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.169 0.988 . . . . 0.0 111.572 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -73.4 -25.42 60.54 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.036 0.934 . . . . 0.0 112.468 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -41.82 76.98 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.519 1.128 . . . . 0.0 111.046 176.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.2 -31.33 72.45 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.917 1.287 . . . . 0.0 113.596 176.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.71 -27.87 63.3 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.143 0.883 . . . . 0.0 112.648 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -97.21 -18.61 19.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.613 1.565 . . . . 0.0 113.257 177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.58 93.78 0.26 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.603 1.561 . . . . 0.0 112.818 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -78.26 -31.93 49.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.942 1.697 . . . . 0.0 112.137 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.8 m -141.35 171.27 14.29 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.861 1.664 . . . . 0.0 111.822 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.95 -28.59 24.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 124.783 1.233 . . . . 0.0 112.503 177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -49.59 -49.87 44.91 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.521 1.529 . . . . 0.0 113.228 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 78.8 mtm-85 -81.36 -26.04 35.85 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 175.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.52 -37.47 75.69 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.113 0.965 . . . . 0.0 112.078 174.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.25 -41.01 92.28 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.651 -0.656 . . . . 0.0 112.572 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.79 -41.21 97.44 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.031 0.832 . . . . 0.0 111.861 178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.3 -44.82 76.11 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.405 -0.809 . . . . 0.0 112.269 175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.7 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 174.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 40.8 m -82.29 -40.22 21.81 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.625 1.17 . . . . 0.0 110.85 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -57.17 -47.24 81.71 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.814 0.846 . . . . 0.0 111.277 174.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -32.89 74.12 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -64.71 -20.12 66.15 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.928 -1.108 . . . . 0.0 113.66 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -85.9 -19.49 57.66 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.834 1.206 . . . . 0.0 112.597 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 67' ' ' GLU . 11.6 mt -71.12 -41.7 70.21 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 118.695 1.247 . . . . 0.0 111.716 175.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -36.57 71.47 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.228 0.922 . . . . 0.0 111.363 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -61.1 -36.9 80.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.173 2.189 . . . . 0.0 114.072 175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.42 HD21 HG23 ' A' ' 63' ' ' THR . 27.4 tp -60.14 -53.04 62.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.865 1.266 . . . . 0.0 110.684 175.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.546 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -65.08 -46.26 91.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.674 175.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -53.59 -31.53 47.25 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.128 0.971 . . . . 0.0 113.394 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -48.72 52.62 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 0.0 112.759 175.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -103.71 25.24 10.02 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.119 1.768 . . . . 0.0 113.375 -175.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.54 HG23 HD21 ' A' ' 110' ' ' LEU . 6.2 p -61.49 -42.12 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.424 1.489 . . . . 0.0 113.349 -174.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.33 -3.45 43.12 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.816 0.846 . . . . 0.0 112.626 175.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -97.3 -48.89 5.15 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.6 1.16 . . . . 0.0 111.385 176.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.546 HD12 HG23 ' A' ' 98' ' ' ILE . 60.9 mt -60.08 139.63 57.36 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.341 1.057 . . . . 0.0 111.9 177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.26 153.49 22.25 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.443 0.697 . . . . 0.0 111.181 175.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.37 -33.87 31.67 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.05 0.94 . . . . 0.0 112.875 176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -68.05 -62.99 1.15 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.019 1.727 . . . . 0.0 110.882 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.06 -33.61 69.22 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.948 1.699 . . . . 0.0 113.005 -176.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.54 HD21 HG23 ' A' ' 102' ' ' VAL . 0.3 OUTLIER -61.44 -60.89 3.02 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.737 1.215 . . . . 0.0 110.269 175.079 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -59.09 -33.8 71.25 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -61.59 -50.54 72.18 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.365 1.066 . . . . 0.0 111.343 174.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.54 67.28 Favored Glycine 0 CA--C 1.529 0.943 0 C-N-CA 123.888 0.756 . . . . 0.0 112.883 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -59.74 -39.47 84.85 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 118.311 1.056 . . . . 0.0 113.3 178.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -64.61 -35.24 80.36 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.838 1.199 . . . . 0.0 114.129 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.36 -43.87 92.76 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 118.266 -0.873 . . . . 0.0 112.549 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.458 HD11 ' HB3' ' A' ' 94' ' ' LEU . 8.2 mp -54.6 -45.82 73.69 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.273 1.397 . . . . 0.0 111.71 174.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.8 81.73 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.83 0.852 . . . . 0.0 111.933 178.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -59.5 -42.56 92.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.745 1.218 . . . . 0.0 111.763 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.53 HD13 ' HB ' ' A' ' 71' ' ' VAL . 16.9 mt -73.65 -40.39 63.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.66 1.184 . . . . 0.0 111.891 175.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -54.2 -36.35 63.36 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.638 1.175 . . . . 0.0 113.243 175.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.73 -46.6 88.94 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.484 -0.76 . . . . 0.0 112.411 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.51 78.61 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.805 -0.559 . . . . 0.0 111.384 174.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -53.02 62.43 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.697 1.199 . . . . 0.0 110.169 175.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.51 94.22 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.238 0.615 . . . . 0.0 112.61 177.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -60.31 -46.44 89.87 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.507 -0.746 . . . . 0.0 112.629 176.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 22.1 mmt180 -65.4 -38.96 91.53 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.119 0.968 . . . . 0.0 112.58 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -55.4 -41.81 73.2 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.33 1.052 . . . . 0.0 112.219 177.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -57.98 -32.57 67.99 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.65 1.18 . . . . 0.0 113.92 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -86.81 -26.91 30.6 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.16 0.886 . . . . 0.0 113.921 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 67.8 mt -85.63 -69.69 0.64 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.862 1.665 . . . . 0.0 112.964 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -71.35 131.28 86.78 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.243 1.417 . . . . 0.0 110.988 178.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.97 105.03 0.9 Allowed 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.088 2.525 . . . . 0.0 111.357 174.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -124.31 132.15 53.55 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.821 2.049 . . . . 0.0 110.579 177.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.305 1.842 . . . . 0.0 110.911 178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.6 ttm . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -77.45 77.52 3.82 Favored 'Trans proline' 0 CA--C 1.544 0.988 0 C-N-CA 123.855 3.037 . . . . 0.0 112.279 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -65.83 130.92 44.96 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.158 -0.964 . . . . 0.0 111.092 174.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -126.1 130.9 52.0 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.686 1.595 . . . . 0.0 110.871 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 pp -61.55 136.98 58.22 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.223 1.009 . . . . 0.0 111.499 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -94.05 -14.91 25.3 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.006 0.922 . . . . 0.0 112.527 175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt-85 -138.14 114.62 10.41 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 127.592 2.357 . . . . 0.0 111.334 -173.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -25.46 66.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 175.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -59.3 -25.59 64.27 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 113.015 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -58.6 -32.6 69.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 175.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.12 -45.06 96.23 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.989 0.916 . . . . 0.0 111.974 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -78.13 -30.06 49.17 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.718 0.807 . . . . 0.0 112.89 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -62.68 -33.06 74.3 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.253 1.421 . . . . 0.0 112.622 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -54.72 -25.16 25.67 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.885 1.274 . . . . 0.0 114.345 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -61.55 -49.12 77.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.74 1.216 . . . . 0.0 111.929 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.1 t -82.79 -28.34 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.382 1.073 . . . . 0.0 111.406 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -58.37 -22.81 54.98 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.44 1.096 . . . . 0.0 112.581 175.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -60.21 -41.45 93.06 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.399 1.479 . . . . 0.0 110.665 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.7 ttt85 -65.68 -26.76 67.93 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.424 1.089 . . . . 0.0 111.968 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -76.74 -34.48 58.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.791 0.837 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -89.8 -15.23 32.78 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.815 1.783 . . . . 0.0 115.815 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -31.15 71.27 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.535 1.134 . . . . 0.0 113.098 175.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -69.62 143.0 53.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.255 1.822 . . . . 0.0 110.496 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 41.2 69.91 0.31 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.896 2.079 . . . . 0.0 114.594 -169.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -64.71 -12.33 45.61 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 121.446 -0.784 . . . . 0.0 112.422 174.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -64.67 -20.31 66.23 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -78.29 -21.95 48.96 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.738 1.615 . . . . 0.0 112.844 174.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 42.3 t -64.35 -22.91 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.909 1.284 . . . . 0.0 111.708 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.16 -19.97 49.69 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 175.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -63.24 -22.06 66.63 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.202 1.001 . . . . 0.0 112.314 175.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -64.6 -24.68 67.67 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.189 1.396 . . . . 0.0 113.273 175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -61.51 -34.69 75.93 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.527 -0.733 . . . . 0.0 111.288 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.69 65.76 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.969 0.907 . . . . 0.0 111.068 174.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -64.08 -41.27 97.39 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.113 -0.992 . . . . 0.0 112.283 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -53.97 -46.59 71.71 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.8 0.84 . . . . 0.0 111.458 176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -54.79 -54.16 45.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.524 0.729 . . . . 0.0 111.58 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.1 -40.9 48.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.455 0.57 . . . . 0.0 111.46 178.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.0 -56.38 15.5 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 176.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 t -62.07 -39.02 90.98 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.343 -0.848 . . . . 0.0 112.305 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.0 t80 -62.91 -46.8 86.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.444 1.498 . . . . 0.0 111.49 174.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.55 89.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.389 1.076 . . . . 0.0 113.21 175.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.51 -42.99 99.64 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 121.634 -0.666 . . . . 0.0 112.71 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.511 ' HB2' HD21 ' A' ' 94' ' ' LEU . 60.0 mm-40 -69.65 -52.05 29.33 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.249 0.62 . . . . 0.0 112.585 178.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.405 ' HB2' HD11 ' A' ' 120' ' ' LEU . 12.7 ptm180 -56.31 -40.48 74.42 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.105 0.866 . . . . 0.0 111.963 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.78 -44.95 96.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.101 0.96 . . . . 0.0 112.044 178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.42 80.53 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.481 0.712 . . . . 0.0 111.354 174.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.7 t -59.54 -49.69 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 123.564 0.745 . . . . 0.0 111.583 177.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -58.54 -37.26 75.29 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.095 1.358 . . . . 0.0 111.558 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -71.95 -42.17 66.92 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.478 -0.764 . . . . 0.0 111.396 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.52 -48.96 73.18 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.796 1.239 . . . . 0.0 111.159 -177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -62.74 -31.93 72.97 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.52 -37.24 65.71 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.45 -0.781 . . . . 0.0 111.948 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -83.11 7.11 16.88 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.858 1.663 . . . . 0.0 114.161 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 84.71 0.14 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.336 1.454 . . . . 0.0 113.576 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.92 -34.69 75.8 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.418 1.487 . . . . 0.0 113.297 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 m -140.13 167.2 22.68 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.926 1.69 . . . . 0.0 111.663 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.52 -35.69 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 C-N-CA 125.253 1.421 . . . . 0.0 112.171 178.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -53.67 -40.48 65.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.749 1.62 . . . . 0.0 112.903 175.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmp_? -73.99 -41.14 62.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.056 0.942 . . . . 0.0 112.031 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.48 -45.05 92.79 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.869 0.868 . . . . 0.0 112.366 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -59.11 -35.67 73.83 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.41 0.684 . . . . 0.0 112.494 175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.39 -52.4 53.76 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.365 0.666 . . . . 0.0 111.255 175.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.04 -43.42 70.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.995 0.918 . . . . 0.0 113.248 175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -19.95 66.03 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 175.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 t -86.29 -37.56 18.42 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.497 1.119 . . . . 0.0 110.916 175.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' HB3' HG22 ' A' ' 71' ' ' VAL . 34.0 mmt180 -58.36 -43.26 88.29 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 121.499 -0.751 . . . . 0.0 111.61 175.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.78 -32.73 72.68 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 177.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.48 -31.83 73.21 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.293 -0.879 . . . . 0.0 112.683 176.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -71.88 -28.57 68.56 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.646 1.117 . . . . 0.0 113.285 175.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.511 HD21 ' HB2' ' A' ' 67' ' ' GLU . 10.1 mt -66.05 -37.57 86.17 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 118.326 1.063 . . . . 0.0 112.077 174.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -61.84 -37.89 86.17 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 119.557 1.071 . . . . 0.0 111.751 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -62.46 -32.7 73.62 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.951 1.701 . . . . 0.0 114.547 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.3 tp -58.53 -54.08 51.14 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.186 0.994 . . . . 0.0 110.159 175.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.918 HG21 HE22 ' A' ' 114' ' ' GLN . 2.8 mp -68.45 -41.11 83.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 119.27 -0.395 . . . . 0.0 111.522 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -54.41 -25.98 27.89 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.092 0.86 . . . . 0.0 113.162 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -75.9 -50.43 15.03 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 124.17 0.988 . . . . 0.0 112.838 175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.1 p -94.9 18.72 11.37 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.918 2.087 . . . . 0.0 114.469 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.426 HG23 HD11 ' A' ' 110' ' ' LEU . 7.2 p -57.28 -43.44 82.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 O-C-N 120.145 -1.597 . . . . 0.0 113.782 -174.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -76.95 -6.56 53.05 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.347 1.059 . . . . 0.0 112.879 177.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -95.86 -48.33 5.78 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.725 1.21 . . . . 0.0 111.263 177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.643 HD12 HG23 ' A' ' 98' ' ' ILE . 77.5 mt -61.9 132.79 54.17 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.616 1.166 . . . . 0.0 111.674 178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.03 158.08 20.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.251 0.62 . . . . 0.0 110.713 174.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -32.9 52.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.1 -60.78 3.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.755 1.622 . . . . 0.0 111.219 174.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.5 -37.03 84.17 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.098 1.359 . . . . 0.0 112.84 -176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.426 HD11 HG23 ' A' ' 102' ' ' VAL . 14.6 tp -58.84 -50.71 72.97 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.892 1.277 . . . . 0.0 110.674 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -63.93 -34.67 78.49 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -63.58 -51.72 64.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.746 0.819 . . . . 0.0 112.139 177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -62.5 -45.46 95.83 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 121.608 -0.683 . . . . 0.0 112.737 179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.918 HE22 HG21 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -66.48 -34.96 79.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.48 -1.012 . . . . 0.0 112.916 179.285 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.4 -37.76 88.51 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.951 1.25 . . . . 0.0 113.489 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.24 99.23 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.963 0.905 . . . . 0.0 112.445 178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' ' 94' ' ' LEU . 5.9 mp -55.62 -44.56 77.17 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.926 1.239 . . . . 0.0 110.996 174.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.59 92.04 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.637 0.775 . . . . 0.0 111.864 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -58.5 -44.59 89.47 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.712 1.205 . . . . 0.0 111.889 178.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.405 HD11 ' HB2' ' A' ' 68' ' ' ARG . 18.4 mt -72.12 -42.31 66.19 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.991 0.916 . . . . 0.0 112.08 174.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -56.1 -37.68 69.72 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.483 1.113 . . . . 0.0 112.82 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.86 -52.18 66.15 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 118.566 0.621 . . . . 0.0 112.142 176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.07 -41.96 79.76 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.674 0.67 . . . . 0.0 111.74 175.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -52.78 64.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.435 1.094 . . . . 0.0 111.108 174.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.77 -19.62 64.32 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -85.04 -41.51 15.71 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.255 1.422 . . . . 0.0 111.001 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -61.0 -29.46 69.71 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.042 1.337 . . . . 0.0 113.195 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -53.17 -39.43 63.61 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 119.091 0.859 . . . . 0.0 112.679 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -55.58 -23.38 26.81 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.301 1.44 . . . . 0.0 114.079 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.33 -3.23 38.28 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 125.877 1.703 . . . . 0.0 115.129 174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.1 mt -126.07 -74.09 0.61 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.698 1.999 . . . . 0.0 112.352 -176.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -115.55 78.7 6.77 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 126.532 1.933 . . . . 0.0 110.496 174.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_endo -74.19 80.97 2.08 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.986 3.124 . . . . 0.0 110.999 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -131.33 144.75 51.49 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.456 1.903 . . . . 0.0 111.468 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? . . . . . 0 C--O 1.253 1.275 0 C-N-CA 127.149 2.18 . . . . 0.0 112.784 -178.666 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tpt . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 119.526 -0.273 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.73 159.65 45.16 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 122.954 2.436 . . . . 0.0 112.587 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -77.16 75.32 3.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.263 1.025 . . . . 0.0 111.639 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -69.66 163.13 26.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.892 1.277 . . . . 0.0 112.577 174.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -41.7 6.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.333 1.853 . . . . 0.0 112.395 178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -68.14 134.9 51.29 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.896 0.878 . . . . 0.0 110.176 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 54.29 18.04 1.72 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.709 2.004 . . . . 0.0 114.932 -177.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -60.47 -46.89 88.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.713 1.605 . . . . 0.0 112.411 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -62.55 -26.19 68.45 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -70.26 -24.63 63.1 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.143 0.977 . . . . 0.0 112.126 175.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -61.73 -34.6 76.09 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 110.452 175.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -58.97 -21.12 58.02 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.321 1.448 . . . . 0.0 113.431 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -63.16 -48.99 76.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.286 1.435 . . . . 0.0 111.725 175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -82.31 -21.48 36.08 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -60.96 -26.56 67.63 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.201 1.0 . . . . 0.0 112.055 174.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 40.6 t -58.34 -38.35 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 120.991 -1.068 . . . . 0.0 111.063 174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.26 -26.82 68.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.088 0.955 . . . . 0.0 112.797 175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 33.2 ttt85 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.968 1.307 . . . . 0.0 110.454 175.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 46.4 ttm-85 -74.66 -27.5 60.45 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.8 0.84 . . . . 0.0 111.674 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -79.18 -33.19 44.17 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -78.68 -29.0 45.36 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.687 1.365 . . . . 0.0 114.687 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -179.63 6.67 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.223 1.809 . . . . 0.0 111.529 175.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -50.08 148.3 3.46 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.046 1.338 . . . . 0.0 112.356 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -76.64 68.39 2.9 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.156 0.979 . . . . 0.0 112.678 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -64.19 -23.98 67.51 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.058 -1.026 . . . . 0.0 111.857 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -67.86 -26.21 65.92 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -178.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -71.59 -32.03 67.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 126.283 1.833 . . . . 0.0 112.926 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.5 t -67.96 -38.55 80.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 110.991 175.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.33 -24.15 64.79 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.0 ttmm -62.2 -17.79 59.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.136 0.975 . . . . 0.0 113.348 176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -78.53 -29.05 46.26 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.229 -0.919 . . . . 0.0 112.707 174.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -105.7 -38.65 6.33 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.293 1.437 . . . . 0.0 112.974 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 60.3 p -66.87 -37.77 85.06 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.721 1.146 . . . . 0.0 111.101 175.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.02 -36.13 80.65 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.533 175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -55.3 -47.39 75.64 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.518 1.054 . . . . 0.0 110.87 175.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -60.64 -56.51 20.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.556 0.742 . . . . 0.0 111.534 175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 58.0 t -56.98 -38.45 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 118.823 0.738 . . . . 0.0 111.33 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.31 -60.57 3.52 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 175.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.5 t -62.57 -40.17 96.02 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.042 0.537 . . . . 0.0 112.102 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 94' ' ' LEU . 42.5 t80 -62.79 -49.1 76.3 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.196 1.398 . . . . 0.0 112.496 175.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.02 88.7 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.94 0.896 . . . . 0.0 112.353 177.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -67.65 -39.64 84.59 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.438 ' CB ' HD21 ' A' ' 94' ' ' LEU . 10.7 mm-40 -63.76 -54.23 38.59 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.584 0.754 . . . . 0.0 110.855 177.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -52.3 -41.5 62.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 118.831 0.741 . . . . 0.0 111.616 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.46 -43.88 79.98 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.641 1.176 . . . . 0.0 112.5 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.89 -40.99 86.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.58 0.627 . . . . 0.0 112.001 175.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.8 t -67.21 -45.62 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.951 -0.468 . . . . 0.0 111.188 175.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -58.94 -40.52 84.89 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.553 0.741 . . . . 0.0 112.337 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -68.9 -21.39 64.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.251 1.02 . . . . 0.0 113.289 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.07 -36.83 84.25 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.152 -0.968 . . . . 0.0 110.001 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.6 mt -58.72 -37.72 76.76 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.728 1.611 . . . . 0.0 113.026 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.54 -25.63 68.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.964 0.905 . . . . 0.0 113.114 174.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -101.73 -5.89 24.38 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.866 1.666 . . . . 0.0 113.342 178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -80.59 77.44 7.4 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.936 1.695 . . . . 0.0 112.345 178.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -81.79 -11.0 59.19 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.748 1.219 . . . . 0.0 113.189 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.5 m -130.1 150.37 51.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.98 1.712 . . . . 0.0 111.07 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.03 -33.78 43.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 125.539 1.536 . . . . 0.0 111.476 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.27 -37.48 87.62 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.493 1.117 . . . . 0.0 113.012 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -69.6 -32.67 71.54 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.865 0.866 . . . . 0.0 111.465 177.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.47 -41.9 97.95 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.482 1.513 . . . . 0.0 112.063 176.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -57.75 -38.37 75.25 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.308 0.643 . . . . 0.0 112.372 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.99 -47.3 80.89 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.283 1.033 . . . . 0.0 111.372 176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.08 -39.94 75.95 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.614 0.766 . . . . 0.0 112.431 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.73 -25.99 68.46 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 m -80.63 -37.25 31.36 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 119.608 1.094 . . . . 0.0 111.605 176.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 71' ' ' VAL . 19.8 mmt180 -59.83 -46.5 89.07 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.225 0.61 . . . . 0.0 111.774 175.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -34.78 78.73 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -62.94 -29.17 70.59 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.359 -0.838 . . . . 0.0 112.766 174.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -75.54 -26.11 66.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.943 1.259 . . . . 0.0 114.252 175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 67' ' ' GLU . 8.5 mt -62.18 -27.95 69.33 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.023 1.411 . . . . 0.0 112.648 175.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.93 -40.54 95.84 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.89 1.223 . . . . 0.0 111.45 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -62.84 -31.13 72.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.579 1.152 . . . . 0.0 112.933 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.37 -54.62 43.51 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.898 1.279 . . . . 0.0 111.118 175.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.423 HG23 HD12 ' A' ' 105' ' ' LEU . 3.4 mp -63.75 -42.16 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 CA-C-O 119.144 -0.455 . . . . 0.0 110.76 175.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -52.33 -30.43 28.48 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 113.728 1.011 . . . . 0.0 113.728 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.27 -45.92 58.06 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.422 -0.799 . . . . 0.0 113.09 175.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.9 p -99.76 17.27 21.11 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.448 1.899 . . . . 0.0 113.969 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.8 p -59.53 -40.12 81.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 120.031 -1.668 . . . . 0.0 113.806 -173.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.01 -5.91 48.58 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.479 1.112 . . . . 0.0 112.803 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -102.5 -47.84 4.34 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.032 1.333 . . . . 0.0 110.93 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.423 HD12 HG23 ' A' ' 98' ' ' ILE . 87.4 mt -63.55 128.84 37.64 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.246 1.018 . . . . 0.0 110.706 176.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.71 161.02 8.41 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.659 0.784 . . . . 0.0 111.752 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -22.68 14.08 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.386 1.074 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -71.15 -61.44 1.76 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.291 1.436 . . . . 0.0 110.143 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -68.84 -38.59 79.92 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.385 1.474 . . . . 0.0 112.737 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.2 tp -56.26 -53.92 51.5 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.767 1.227 . . . . 0.0 110.462 174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -65.61 -31.27 72.21 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -65.56 -53.6 39.77 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.114 0.966 . . . . 0.0 112.293 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.47 -45.46 96.33 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 118.776 0.716 . . . . 0.0 112.378 178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -59.94 -40.31 88.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.971 -0.723 . . . . 0.0 112.687 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -69.76 -31.29 69.16 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.69 84.36 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 118.453 -0.784 . . . . 0.0 112.37 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.2 mp -55.56 -45.91 77.22 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.903 1.228 . . . . 0.0 111.199 174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.28 84.4 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.068 0.947 . . . . 0.0 111.851 177.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -57.84 -42.75 85.05 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.782 0.833 . . . . 0.0 111.623 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 23.0 mt -69.59 -48.81 58.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.519 1.128 . . . . 0.0 109.848 175.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -57.56 -39.2 76.15 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.041 1.337 . . . . 0.0 113.182 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -56.87 -35.25 68.68 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.273 1.029 . . . . 0.0 113.206 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.24 99.33 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.646 -0.659 . . . . 0.0 112.026 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.423 ' H ' HD12 ' A' ' 124' ' ' LEU . 6.3 mp -64.04 -46.67 83.35 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.592 -0.692 . . . . 0.0 110.29 175.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.31 -18.82 52.2 Favored 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -178.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -93.32 -52.66 4.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.777 2.031 . . . . 0.0 110.505 175.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -55.58 -44.05 76.56 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.622 1.569 . . . . 0.0 111.828 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -53.15 -45.37 68.39 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.508 1.523 . . . . 0.0 113.133 -178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.3 ttt-85 -67.49 -29.42 68.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 128.117 2.567 . . . . 0.0 112.725 177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -85.93 -16.44 63.26 Favored Glycine 0 CA--C 1.54 1.608 0 C-N-CA 124.337 0.97 . . . . 0.0 113.145 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 37.7 mt -89.42 -62.61 1.44 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.286 2.235 . . . . 0.0 112.707 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -56.99 153.14 24.83 Favored Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.67 112.72 2.95 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 123.944 3.096 . . . . 0.0 112.188 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -84.75 1.33 47.11 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.791 1.636 . . . . 0.0 114.024 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.817 2.447 . . . . 0.0 112.234 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.6 ptt? . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 119.017 -0.516 . . . . 0.0 111.299 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -67.56 161.57 42.93 Favored 'Trans proline' 0 CA--C 1.544 1.012 0 C-N-CA 123.24 2.627 . . . . 0.0 112.536 174.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -140.72 47.99 1.73 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.921 1.288 . . . . 0.0 113.142 -173.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -54.16 -55.17 30.42 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 125.15 1.38 . . . . 0.0 113.338 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.9 mt -79.0 116.23 19.18 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.252 1.021 . . . . 0.0 111.17 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -67.21 128.18 35.41 Favored 'General case' 0 C--O 1.24 0.591 0 C-N-CA 123.521 0.728 . . . . 0.0 109.999 175.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -127.3 142.75 51.38 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.626 1.571 . . . . 0.0 111.578 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -22.19 66.51 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 123.97 0.908 . . . . 0.0 111.621 176.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -63.39 -26.75 68.89 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.518 0.727 . . . . 0.0 109.692 178.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -59.61 -35.07 73.61 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.767 1.167 . . . . 0.0 112.228 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -64.24 -47.3 80.17 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.715 0.806 . . . . 0.0 111.188 174.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -67.34 -31.33 71.52 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -58.18 -27.8 64.18 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 123.651 0.78 . . . . 0.0 112.23 179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.7 mt -59.4 -20.23 53.31 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-N 119.098 0.863 . . . . 0.0 112.917 178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -69.3 -52.96 22.24 Favored 'General case' 0 C--N 1.349 0.561 0 C-N-CA 125.166 1.387 . . . . 0.0 112.111 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 p -72.55 -28.92 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 121.355 -0.841 . . . . 0.0 112.102 175.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . 0.302 5.8 tm-20 -55.19 -25.78 34.91 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 127.217 2.207 . . . . 0.0 110.544 176.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 mmm-85 -71.87 -31.08 66.09 Favored 'General case' 0 CA--C 1.595 2.686 0 N-CA-C 103.599 -2.741 . . . . 0.0 103.599 -170.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.89 -23.15 62.24 Favored 'General case' 0 CA--C 1.456 -2.657 0 CA-C-N 120.718 1.599 . . . . 0.0 109.921 178.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -67.3 -35.53 79.64 Favored 'General case' 0 CA--C 1.463 -2.399 0 O-C-N 118.083 -2.886 . . . . 0.0 108.862 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -64.75 -18.15 64.79 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 118.089 -2.882 . . . . 0.0 113.439 176.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -90.26 -7.89 52.32 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.763 1.625 . . . . 0.0 113.32 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmm180 -70.47 175.43 4.78 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.439 1.496 . . . . 0.0 111.09 175.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.97 149.48 40.61 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.783 1.233 . . . . 0.0 112.229 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -63.14 -4.43 2.39 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -59.38 -23.23 62.4 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -76.09 -16.51 59.9 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 174.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.62 -22.13 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.381 1.472 . . . . 0.0 110.714 -179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -62.59 -24.26 67.47 Favored 'General case' 0 CA--C 1.562 1.427 0 O-C-N 121.067 -1.021 . . . . 0.0 110.999 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.07 -21.43 59.92 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.968 1.707 . . . . 0.0 113.549 176.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -63.24 -20.12 65.16 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.773 1.229 . . . . 0.0 112.656 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -63.86 -24.57 67.8 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.199 -0.938 . . . . 0.0 109.431 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.2 t -70.8 -38.53 73.35 Favored 'General case' 0 C--N 1.366 1.304 0 O-C-N 119.572 -1.955 . . . . 0.0 110.732 174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -61.01 -42.12 97.83 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.373 -1.454 . . . . 0.0 108.753 176.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -61.27 -43.53 98.72 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.86 -53.99 50.04 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.048 0.84 . . . . 0.0 111.441 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.2 t -53.44 -42.39 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 123.56 0.744 . . . . 0.0 110.933 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.57 -56.29 19.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.64 0.776 . . . . 0.0 112.246 177.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.6 t -64.62 -37.88 89.1 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.518 0.727 . . . . 0.0 112.003 -178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.93 -48.48 73.98 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.341 1.456 . . . . 0.0 110.203 176.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.75 83.45 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.992 0.917 . . . . 0.0 112.335 174.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -62.84 -41.9 99.53 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.734 0.814 . . . . 0.0 112.392 178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.417 ' HB2' HD21 ' A' ' 94' ' ' LEU . 63.3 mm-40 -68.76 -54.75 14.17 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.278 1.031 . . . . 0.0 112.165 176.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' HB2' HD11 ' A' ' 120' ' ' LEU . 26.9 ptt180 -56.38 -40.96 75.45 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.042 0.837 . . . . 0.0 111.841 -178.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.64 -42.91 99.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.27 1.028 . . . . 0.0 111.169 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.34 -41.75 98.83 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 118.665 0.666 . . . . 0.0 111.526 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 t -64.48 -44.61 96.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 119.409 1.004 . . . . 0.0 111.402 175.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -63.89 -39.92 95.31 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.676 0.79 . . . . 0.0 111.869 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -74.65 -26.32 59.8 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.696 1.198 . . . . 0.0 113.304 176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.6 tp -61.03 -32.8 72.4 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 121.016 -1.053 . . . . 0.0 111.079 175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.01 -34.37 76.06 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.426 1.09 . . . . 0.0 113.034 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.88 -33.44 73.79 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 121.189 -0.945 . . . . 0.0 113.351 176.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -83.71 -29.9 27.17 Favored 'General case' 0 CA--C 1.497 -1.077 0 C-N-CA 125.069 1.348 . . . . 0.0 112.026 177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 88.29 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.376 1.87 . . . . 0.0 114.006 -173.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -74.28 -25.84 59.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.487 1.515 . . . . 0.0 112.655 -177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.43 ' HA ' HD22 ' A' ' 131' ' ' LEU . 70.6 p -140.42 174.64 10.32 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.465 1.506 . . . . 0.0 112.46 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -59.56 -26.57 35.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.155 0.982 . . . . 0.0 111.887 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -57.14 -37.64 72.32 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 120.25 -1.531 . . . . 0.0 113.87 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.2 mmp_? -79.53 -30.15 41.74 Favored 'General case' 0 CA--C 1.486 -1.498 0 C-N-CA 125.356 1.462 . . . . 0.0 114.633 172.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.6 tp -63.31 -36.54 84.02 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.745 1.618 . . . . 0.0 111.54 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -61.72 -41.85 98.17 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.566 -0.709 . . . . 0.0 111.087 177.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -63.61 -37.85 88.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.817 0.847 . . . . 0.0 112.74 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.94 -40.06 79.58 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 119.325 0.966 . . . . 0.0 113.064 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.27 -23.24 65.66 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 49.6 m -81.19 -39.8 24.88 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.814 -1.179 . . . . 0.0 111.349 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -58.12 -47.3 83.71 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 172.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -31.92 73.18 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -64.43 -31.9 73.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 174.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.61 -21.49 78.63 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.491 1.043 . . . . 0.0 114.279 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 67' ' ' GLU . 5.8 mt -66.24 -35.33 80.15 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.807 1.303 . . . . 0.0 112.296 173.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? -63.24 -38.45 91.2 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.315 -0.866 . . . . 0.0 111.098 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt -58.93 -32.41 69.55 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.916 1.286 . . . . 0.0 114.146 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.51 -51.19 68.4 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 124.584 1.154 . . . . 0.0 110.284 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.07 -43.75 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 121.45 -0.781 . . . . 0.0 111.14 176.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -55.05 -31.69 61.32 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.995 0.816 . . . . 0.0 112.899 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -70.66 -49.03 51.64 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.529 0.732 . . . . 0.0 111.579 176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.5 m -101.13 23.38 10.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.794 1.638 . . . . 0.0 113.365 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -61.07 -43.79 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 120.429 -1.419 . . . . 0.0 113.298 -171.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -75.93 -6.97 53.41 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.12 0.968 . . . . 0.0 112.696 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -95.05 -46.42 6.82 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.48 1.112 . . . . 0.0 111.422 178.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 98' ' ' ILE . 85.0 mt -61.87 136.86 58.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.928 0.891 . . . . 0.0 111.558 175.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.09 157.59 18.67 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.02 0.528 . . . . 0.0 110.685 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.4 -29.74 61.89 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -64.16 -60.55 3.07 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.55 1.54 . . . . 0.0 111.561 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -34.98 78.52 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.894 1.278 . . . . 0.0 113.636 -175.368 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.19 -50.85 72.09 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 124.959 1.304 . . . . 0.0 110.805 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -64.57 -34.0 77.24 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.531 1.132 . . . . 0.0 112.363 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -66.74 -49.1 67.04 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 124.03 0.932 . . . . 0.0 110.043 178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.83 -48.36 72.8 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-N 118.904 0.775 . . . . 0.0 113.189 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -61.18 -35.69 77.82 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 118.165 0.982 . . . . 0.0 113.485 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -63.61 -40.27 96.49 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.322 -0.861 . . . . 0.0 113.304 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.61 -36.34 80.45 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.901 0.88 . . . . 0.0 112.953 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.34 -41.97 90.42 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.475 1.488 . . . . 0.0 110.81 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.89 -33.24 75.25 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.367 1.067 . . . . 0.0 111.88 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 45.4 ttp85 -60.77 -43.12 98.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.91 0.884 . . . . 0.0 111.418 176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 68' ' ' ARG . 12.4 mt -73.79 -34.96 64.86 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.796 . . . . 0.0 112.618 176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -52.51 -43.88 65.35 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.889 1.275 . . . . 0.0 110.705 173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -70.43 -36.31 73.91 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.248 -0.907 . . . . 0.0 110.473 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.43 -30.31 71.35 Favored 'General case' 0 C--N 1.353 0.736 0 O-C-N 119.811 -1.806 . . . . 0.0 112.681 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.71 -48.46 81.67 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.331 1.052 . . . . 0.0 111.64 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.97 -37.84 77.7 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.814 1.245 . . . . 0.0 113.373 176.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.87 -53.96 51.9 Favored 'General case' 0 N--CA 1.494 1.738 0 CA-C-N 119.524 1.056 . . . . 0.0 110.067 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -68.36 -38.76 81.72 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -49.58 -47.75 49.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.343 1.457 . . . . 0.0 112.261 177.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 mtt85 -55.09 -32.52 62.05 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-N 119.749 1.159 . . . . 0.0 113.952 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -87.15 -31.95 15.58 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.371 0.986 . . . . 0.0 113.691 176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 80' ' ' SER . 87.2 mt -81.66 -70.01 0.57 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.102 1.761 . . . . 0.0 112.52 -178.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -86.0 134.19 39.6 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 125.403 1.481 . . . . 0.0 111.945 178.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.35 149.9 70.05 Favored 'Trans proline' 0 CA--C 1.553 1.438 0 C-N-CA 122.119 1.879 . . . . 0.0 110.021 177.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -66.04 147.72 52.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.287 1.035 . . . . 0.0 111.633 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 C--O 1.259 1.597 0 C-N-CA 126.641 1.977 . . . . 0.0 111.393 -176.069 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.2 mtm . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -73.37 155.8 50.79 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 123.133 2.555 . . . . 0.0 112.072 175.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 mt-10 -141.08 132.16 26.28 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.607 1.563 . . . . 0.0 110.413 -175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -140.49 170.5 15.68 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.273 1.829 . . . . 0.0 111.92 -176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -70.59 168.83 15.55 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.572 1.149 . . . . 0.0 110.731 174.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -136.42 168.31 19.69 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.977 1.311 . . . . 0.0 111.823 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -111.82 14.51 21.03 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.971 1.708 . . . . 0.0 113.053 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 81.2 mmt-85 -47.78 -30.39 3.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.008 2.123 . . . . 0.0 113.629 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -55.01 -52.54 62.82 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 112.42 174.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -78.22 -40.5 37.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.8 0.84 . . . . 0.0 111.779 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -60.79 -25.13 66.33 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.442 0.697 . . . . 0.0 112.321 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -54.52 -28.01 42.23 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.119 1.367 . . . . 0.0 113.572 175.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -68.42 -40.47 81.23 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.792 1.237 . . . . 0.0 111.842 178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.72 -21.96 22.44 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.258 1.023 . . . . 0.0 113.446 177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -57.77 -32.61 67.66 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.385 1.474 . . . . 0.0 112.681 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 m -61.74 -31.32 50.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.508 1.123 . . . . 0.0 112.569 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -79.82 -31.75 40.66 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.692 1.197 . . . . 0.0 111.708 174.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -66.22 -45.57 80.25 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.7 1.2 . . . . 0.0 110.698 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -52.43 -28.45 20.04 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.196 1.398 . . . . 0.0 114.109 175.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -32.1 68.11 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.372 1.069 . . . . 0.0 112.722 174.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -105.79 5.26 30.69 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.233 2.213 . . . . 0.0 114.314 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -62.25 178.74 0.36 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.612 1.565 . . . . 0.0 111.184 175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -58.21 178.68 0.09 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.545 1.938 . . . . 0.0 111.32 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -50.49 157.35 0.74 Allowed 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.145 0.978 . . . . 0.0 112.277 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -53.83 -18.05 2.94 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 176.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.0 -25.07 67.7 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.99 1.316 . . . . 0.0 113.822 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -80.03 -12.63 59.68 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.994 1.317 . . . . 0.0 113.439 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.68 -21.87 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.957 0.903 . . . . 0.0 110.896 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -55.5 -25.02 34.73 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.366 1.067 . . . . 0.0 113.877 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.7 ttmm -59.78 -20.42 56.61 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.007 1.323 . . . . 0.0 112.867 175.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.3 -14.15 54.28 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.886 1.274 . . . . 0.0 113.026 175.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -55.35 -22.2 18.4 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.125 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.4 m -60.84 -29.3 69.43 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.124 -0.985 . . . . 0.0 111.901 174.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -65.39 -38.49 90.15 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 120.924 -1.11 . . . . 0.0 111.25 174.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -56.82 -46.37 81.7 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -53.17 -55.54 23.4 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.593 0.757 . . . . 0.0 111.85 175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.0 t -56.09 -37.71 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 CA-C-N 118.351 0.523 . . . . 0.0 111.45 179.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.46 -60.64 2.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.081 0.952 . . . . 0.0 112.504 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.3 t -61.8 -36.59 81.54 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.516 1.126 . . . . 0.0 112.469 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -62.36 -55.65 25.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.689 1.195 . . . . 0.0 111.094 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.01 -38.2 85.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.05 0.54 . . . . 0.0 112.142 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -59.09 -42.93 91.65 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.456 1.102 . . . . 0.0 111.742 175.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' HB2' HD21 ' A' ' 94' ' ' LEU . 48.0 mm-40 -68.23 -57.06 6.6 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.907 0.883 . . . . 0.0 111.74 175.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' HB2' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.39 -35.4 69.97 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.284 0.947 . . . . 0.0 113.269 -178.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.79 -45.17 78.28 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.555 1.142 . . . . 0.0 113.248 177.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.56 99.19 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.395 0.678 . . . . 0.0 112.438 175.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.31 -38.63 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.792 0.837 . . . . 0.0 112.177 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.99 -29.9 70.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.742 1.217 . . . . 0.0 112.328 175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -77.01 -39.89 48.64 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.359 -0.838 . . . . 0.0 111.167 174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.3 tp -57.8 -54.03 51.53 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.937 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.3 pp -59.68 -36.93 77.47 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.692 0.678 . . . . 0.0 112.261 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -66.27 -30.13 70.5 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -96.33 14.57 23.83 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.92 1.288 . . . . 0.0 113.537 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.16 82.84 0.13 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.948 0.899 . . . . 0.0 112.693 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.08 -20.88 64.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.639 1.576 . . . . 0.0 113.362 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 79.6 p -143.0 164.14 30.89 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 126.61 1.964 . . . . 0.0 111.585 179.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.2 t -59.26 -22.2 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 125.375 1.47 . . . . 0.0 112.632 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.32 -52.72 64.41 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 120.393 -1.442 . . . . 0.0 112.249 175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.79 -29.63 70.27 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.762 1.225 . . . . 0.0 112.354 175.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.535 HD13 HD12 ' A' ' 131' ' ' LEU . 7.7 tp -61.14 -61.17 2.76 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.432 1.093 . . . . 0.0 110.451 175.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -60.73 -36.32 78.57 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.197 -0.939 . . . . 0.0 112.636 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.56 -49.4 77.71 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.007 0.923 . . . . 0.0 112.484 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.27 -41.96 66.06 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.058 0.943 . . . . 0.0 112.535 177.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.35 -21.77 66.73 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.9 m -87.67 -34.31 18.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.438 1.095 . . . . 0.0 111.12 174.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -61.53 -43.38 98.97 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.72 -0.613 . . . . 0.0 111.527 175.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.4 -31.87 70.51 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 176.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.94 -28.17 67.4 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.027 -1.045 . . . . 0.0 113.013 177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.86 -27.57 64.46 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.699 1.142 . . . . 0.0 114.002 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.511 ' HB3' HD11 ' A' ' 117' ' ' LEU . 10.6 mt -63.7 -29.45 70.67 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 118.895 1.348 . . . . 0.0 112.881 175.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -61.11 -31.01 70.71 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.163 0.892 . . . . 0.0 111.622 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -67.54 -31.87 72.25 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.628 1.571 . . . . 0.0 113.54 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.5 tp -59.54 -49.62 77.06 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.852 1.261 . . . . 0.0 110.447 175.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 4.0 mp -67.06 -47.38 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.038 175.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -56.08 -31.35 63.15 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -67.64 -49.03 64.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.574 0.75 . . . . 0.0 112.467 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.5 m -103.59 27.63 7.25 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.441 1.496 . . . . 0.0 112.733 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.7 p -61.42 -40.7 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.364 -1.46 . . . . 0.0 113.378 -172.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -77.15 -3.79 41.27 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.489 1.116 . . . . 0.0 112.85 175.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -100.64 -46.27 5.24 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.35 1.06 . . . . 0.0 110.844 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 85.3 mt -63.77 132.62 51.49 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.754 1.222 . . . . 0.0 111.644 175.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.26 157.31 26.26 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.492 0.717 . . . . 0.0 111.167 174.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.465 ' HA ' HD12 ' A' ' 110' ' ' LEU . . . -53.35 -38.08 62.95 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.374 -0.829 . . . . 0.0 112.23 176.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -62.55 -47.42 83.97 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.45 1.5 . . . . 0.0 111.985 174.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.23 -38.64 75.25 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.721 1.208 . . . . 0.0 112.232 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 107' ' ' ALA . 35.8 mt -57.24 -53.72 54.94 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.171 0.988 . . . . 0.0 108.72 174.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 mtm105 -63.83 -21.92 66.67 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -76.38 -42.27 45.11 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.368 1.067 . . . . 0.0 111.676 174.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -82.64 -45.6 6.75 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 119.16 0.891 . . . . 0.0 113.734 178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -59.82 -36.42 76.76 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 118.306 1.053 . . . . 0.0 112.737 -179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.67 -32.99 74.17 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 121.288 -0.882 . . . . 0.0 112.713 174.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.04 73.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.31 1.044 . . . . 0.0 112.382 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 94' ' ' LEU . 4.6 mp -58.75 -47.48 84.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.54 1.064 . . . . 0.0 110.381 175.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.62 -32.51 72.65 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.286 1.035 . . . . 0.0 111.736 -179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -61.66 -44.95 95.99 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.791 1.236 . . . . 0.0 111.23 176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' ' 68' ' ' ARG . 14.9 mt -66.44 -40.63 89.56 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.856 0.862 . . . . 0.0 111.18 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -55.58 -45.63 77.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.249 1.019 . . . . 0.0 111.787 175.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.22 -37.87 69.09 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 176.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.89 -31.3 66.61 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.142 0.883 . . . . 0.0 112.405 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.2 tp -63.76 -42.44 97.82 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.01 1.324 . . . . 0.0 113.341 175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.73 -28.35 67.27 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.213 -0.93 . . . . 0.0 113.209 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -66.91 -34.69 78.33 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.115 -0.991 . . . . 0.0 111.644 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -76.81 -35.05 57.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.244 1.418 . . . . 0.0 112.112 174.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.2 ttt-85 -52.45 -42.17 63.92 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.471 1.108 . . . . 0.0 111.908 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -56.14 -29.05 60.21 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.496 1.518 . . . . 0.0 114.748 178.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -93.58 -32.13 7.87 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.158 0.885 . . . . 0.0 113.776 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 84' ' ' LEU . 56.4 mt -80.74 -75.77 0.26 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.758 1.623 . . . . 0.0 113.053 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -74.21 163.73 66.25 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 125.089 1.356 . . . . 0.0 112.754 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.79 162.38 41.31 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 123.025 2.483 . . . . 0.0 112.898 175.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -72.42 163.26 28.29 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.13 1.372 . . . . 0.0 111.942 174.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 24.9 tptp . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.771 1.228 . . . . 0.0 111.379 175.07 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 119.894 -0.098 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.09 95.32 1.02 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.738 2.959 . . . . 0.0 112.376 -178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -151.39 115.13 4.91 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.238 -0.913 . . . . 0.0 111.837 177.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -121.57 114.36 21.09 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.534 1.534 . . . . 0.0 111.347 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 64.1 mt -92.74 126.11 37.67 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.205 1.402 . . . . 0.0 110.765 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -113.39 20.98 15.64 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.203 1.801 . . . . 0.0 112.259 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -64.07 149.99 46.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.705 1.602 . . . . 0.0 111.577 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -56.12 -28.18 56.88 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.843 1.257 . . . . 0.0 113.304 174.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -58.5 -27.28 64.32 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.753 1.221 . . . . 0.0 112.409 175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -57.42 -20.54 30.7 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.431 1.092 . . . . 0.0 112.891 175.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -59.68 -25.38 64.7 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.796 -1.19 . . . . 0.0 111.269 175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -61.86 -15.38 41.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.211 1.404 . . . . 0.0 112.805 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -57.99 -24.45 58.2 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.815 0.846 . . . . 0.0 111.347 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.09 -21.63 61.74 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.279 0.945 . . . . 0.0 113.477 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -17.89 62.72 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.967 1.307 . . . . 0.0 111.244 175.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -59.77 -28.14 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.625 1.17 . . . . 0.0 112.044 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.93 -23.62 63.67 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 121.198 -0.939 . . . . 0.0 113.532 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -74.78 -52.05 12.5 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.331 1.452 . . . . 0.0 110.926 175.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -68.66 -24.65 64.55 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -56.43 -31.9 64.36 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.925 1.239 . . . . 0.0 113.383 175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -84.14 -15.98 45.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -95.6 5.67 50.88 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 127.608 2.363 . . . . 0.0 113.828 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -55.86 162.84 1.64 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.482 1.513 . . . . 0.0 111.197 174.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.68 157.63 5.23 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.802 1.241 . . . . 0.0 111.792 -175.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -55.62 -21.33 17.21 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 120.879 -1.138 . . . . 0.0 113.29 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.65 -18.24 63.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.689 1.596 . . . . 0.0 114.23 174.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.83 -24.01 62.46 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.239 -0.913 . . . . 0.0 113.149 176.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.6 t -72.61 -18.28 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.072 1.349 . . . . 0.0 111.838 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -61.76 -17.92 57.79 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 120.732 -1.23 . . . . 0.0 113.594 176.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -64.76 -25.13 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 120.946 -1.096 . . . . 0.0 113.367 174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -60.13 -50.0 75.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.605 1.162 . . . . 0.0 111.8 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 p30 -70.72 -41.41 71.93 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.033 0.533 . . . . 0.0 111.986 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -62.0 -29.85 70.54 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.343 -0.848 . . . . 0.0 112.675 177.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -59.52 -30.99 68.97 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.12 -0.988 . . . . 0.0 113.473 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -57.6 -52.13 66.69 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.858 0.863 . . . . 0.0 110.883 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -57.38 -54.08 50.83 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 123.966 0.906 . . . . 0.0 111.539 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -54.54 -39.03 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 CA-C-N 118.085 0.402 . . . . 0.0 111.063 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.41 -56.49 13.95 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.253 1.021 . . . . 0.0 113.178 175.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.439 HG23 HD21 ' A' ' 97' ' ' LEU . 12.9 t -63.12 -38.46 91.26 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.377 -0.827 . . . . 0.0 112.211 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 94' ' ' LEU . 40.6 t80 -65.39 -44.75 86.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.781 1.232 . . . . 0.0 110.885 174.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.91 80.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.76 1.224 . . . . 0.0 113.389 175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -59.59 -46.48 88.81 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.732 -0.605 . . . . 0.0 112.106 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.545 ' HB2' HD21 ' A' ' 94' ' ' LEU . 24.0 mm-40 -64.41 -55.04 23.62 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.235 0.614 . . . . 0.0 111.96 178.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -56.28 -41.48 75.96 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.12 0.873 . . . . 0.0 111.891 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.47 94.7 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.254 1.021 . . . . 0.0 111.971 179.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.9 -46.47 84.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 119.175 -0.44 . . . . 0.0 110.883 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 91' ' ' LEU . 6.4 t -59.78 -49.01 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 CA-C-N 118.533 0.606 . . . . 0.0 111.068 175.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -59.5 -33.77 71.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.646 0.779 . . . . 0.0 112.15 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -78.58 -33.72 47.42 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.598 0.759 . . . . 0.0 112.441 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.2 tt -57.63 -27.35 62.72 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.797 1.239 . . . . 0.0 112.025 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.9 mt -59.71 -27.94 66.89 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 126.057 1.743 . . . . 0.0 114.166 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -92.23 -29.92 16.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.786 1.235 . . . . 0.0 111.313 174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -74.39 -25.82 59.71 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.538 1.135 . . . . 0.0 112.687 174.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -79.8 130.0 34.96 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.81 1.644 . . . . 0.0 110.722 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -125.49 -0.35 7.55 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.965 1.306 . . . . 0.0 113.599 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.2 m -146.57 163.83 34.54 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 127.297 2.239 . . . . 0.0 111.34 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.08 -34.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.118 1.367 . . . . 0.0 111.457 174.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -54.78 -55.11 33.61 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.477 1.511 . . . . 0.0 113.184 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 46.0 mtt180 -68.16 -31.0 70.26 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 175.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.7 tp -58.32 -42.36 86.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.433 0.693 . . . . 0.0 111.703 176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.4 -35.72 81.34 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -61.06 -50.37 73.57 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.864 0.756 . . . . 0.0 110.549 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.869 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -58.52 -37.59 75.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.958 0.903 . . . . 0.0 112.642 175.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.57 -26.51 65.45 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.1 t -78.64 -42.07 29.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.282 -0.886 . . . . 0.0 111.406 175.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.5 mmm180 -57.19 -45.42 83.77 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.404 1.082 . . . . 0.0 111.88 175.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -69.83 -34.06 73.15 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.437 0.695 . . . . 0.0 112.803 177.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -70.78 -47.44 59.52 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.69 1.196 . . . . 0.0 112.597 176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.37 -24.51 45.85 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 125.805 1.669 . . . . 0.0 113.324 177.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 64' ' ' PHE . 6.6 mt -64.12 -31.31 72.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.664 0.786 . . . . 0.0 111.94 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.05 -36.74 84.04 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.575 1.079 . . . . 0.0 111.624 177.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -62.93 -30.25 71.42 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.877 1.271 . . . . 0.0 113.617 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 HD21 HG23 ' A' ' 63' ' ' THR . 16.8 tp -60.24 -52.82 63.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.081 0.953 . . . . 0.0 109.206 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 105' ' ' LEU . 3.2 mp -67.38 -42.09 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-O 118.856 -0.593 . . . . 0.0 112.146 177.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -52.82 -31.18 37.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.069 0.85 . . . . 0.0 112.551 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -74.3 -59.8 2.56 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.899 0.88 . . . . 0.0 112.058 175.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.7 p -83.84 19.26 1.75 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.483 1.913 . . . . 0.0 114.9 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.0 p -59.4 -40.55 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 O-C-N 120.191 -1.568 . . . . 0.0 113.485 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -78.28 -6.33 54.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.801 1.24 . . . . 0.0 112.895 176.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -97.08 -45.52 6.53 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.581 1.153 . . . . 0.0 110.651 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 98' ' ' ILE . 97.3 mt -65.52 135.18 54.81 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.65 1.18 . . . . 0.0 111.517 175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.31 155.89 20.16 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.932 0.493 . . . . 0.0 110.483 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.98 -31.75 61.12 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.404 -0.81 . . . . 0.0 112.789 176.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -65.72 -56.25 13.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.867 1.667 . . . . 0.0 111.002 175.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.54 -34.95 79.04 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.475 1.51 . . . . 0.0 112.898 -177.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.81 -53.53 57.34 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.103 1.361 . . . . 0.0 109.471 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -62.1 -33.4 74.37 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -63.24 -55.61 23.45 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.384 1.073 . . . . 0.0 111.542 176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.05 -40.24 88.59 Favored Glycine 0 CA--C 1.532 1.108 0 CA-C-N 118.59 0.632 . . . . 0.0 113.7 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -60.39 -42.1 95.19 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.604 -0.939 . . . . 0.0 112.52 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.22 -29.57 67.55 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.39 -32.0 73.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.363 0.665 . . . . 0.0 112.423 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.65 -41.21 85.52 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 119.451 1.023 . . . . 0.0 111.121 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.32 -32.65 74.34 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.552 1.141 . . . . 0.0 112.138 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -61.11 -40.02 92.19 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.252 1.021 . . . . 0.0 111.684 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 11.0 mt -71.91 -44.55 63.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.899 1.28 . . . . 0.0 111.324 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.427 ' HG3' HD13 ' A' ' 91' ' ' LEU . 43.3 mt-30 -52.15 -39.92 60.68 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.156 1.382 . . . . 0.0 113.655 175.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.1 -52.33 64.33 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 118.339 0.518 . . . . 0.0 112.114 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.93 -32.5 71.99 Favored 'General case' 0 CA--C 1.548 0.893 0 O-C-N 121.842 -0.536 . . . . 0.0 112.412 175.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.95 -50.27 71.46 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.584 1.153 . . . . 0.0 109.697 175.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.28 77.6 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -57.61 -52.39 65.62 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.746 1.218 . . . . 0.0 111.438 174.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -66.38 -38.26 87.16 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.854 -0.529 . . . . 0.0 111.723 174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -51.1 -40.99 59.7 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.35 1.06 . . . . 0.0 112.742 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -53.19 -35.55 59.97 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -88.65 -25.37 30.32 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 123.774 0.702 . . . . 0.0 113.904 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 79.1 mt -78.86 -65.09 1.04 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.779 . . . . 0.0 112.851 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -66.74 160.52 67.88 Favored Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 125.12 1.368 . . . . 0.0 112.028 175.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.49 177.57 6.61 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 123.661 2.907 . . . . 0.0 112.409 175.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -56.89 108.03 0.46 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.286 1.434 . . . . 0.0 111.026 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.723 1.609 . . . . 0.0 113.482 177.591 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -74.99 -17.46 19.55 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 123.138 2.558 . . . . 0.0 113.611 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -118.8 116.89 27.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.685 1.594 . . . . 0.0 110.737 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 -72.8 174.9 7.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.188 1.795 . . . . 0.0 112.113 174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 pp -71.7 131.43 43.13 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.667 0.787 . . . . 0.0 111.019 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -110.21 89.89 3.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.583 1.553 . . . . 0.0 108.472 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 mtm-85 55.02 16.19 1.43 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 127.021 2.128 . . . . 0.0 115.333 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -55.91 -25.61 43.81 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 127.313 2.245 . . . . 0.0 113.83 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -57.32 -41.82 80.65 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.756 1.222 . . . . 0.0 111.813 175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.64 -31.5 61.98 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.745 1.218 . . . . 0.0 112.443 174.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.58 -56.7 10.83 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.872 0.869 . . . . 0.0 110.782 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -16.3 63.34 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -56.72 -33.91 66.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.602 1.161 . . . . 0.0 112.08 177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.4 -26.58 66.51 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -81.94 -25.43 34.88 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.685 1.594 . . . . 0.0 112.213 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.3 t -61.7 -39.69 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.835 0.854 . . . . 0.0 109.832 175.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -64.63 -29.42 70.42 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.596 1.159 . . . . 0.0 113.617 175.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -76.42 -39.38 53.66 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.195 1.398 . . . . 0.0 111.963 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -67.33 -29.01 68.46 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-N 119.087 0.858 . . . . 0.0 113.251 175.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.16 -23.77 49.73 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.006 1.322 . . . . 0.0 114.535 176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -71.74 -16.82 62.22 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.966 1.469 . . . . 0.0 114.966 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 -171.47 2.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.746 2.418 . . . . 0.0 111.407 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -62.97 106.95 0.9 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.394 1.478 . . . . 0.0 109.812 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -57.1 123.94 16.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.375 1.47 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -61.23 -27.97 68.82 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.987 -1.071 . . . . 0.0 113.027 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -66.28 -19.51 65.84 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.98 -17.1 61.04 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.966 0.906 . . . . 0.0 112.522 174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.89 -23.09 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.509 1.124 . . . . 0.0 112.049 177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.9 -22.85 64.73 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 120.941 -1.1 . . . . 0.0 113.15 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.9 mtpp -61.55 -15.81 42.08 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.166 2.187 . . . . 0.0 113.506 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -57.14 -32.23 66.17 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 0.0 112.538 175.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -81.2 -24.57 37.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.801 1.241 . . . . 0.0 112.93 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.9 p -66.38 -34.01 77.01 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.085 -1.009 . . . . 0.0 111.56 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -60.76 -42.43 97.44 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.782 0.833 . . . . 0.0 111.204 175.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -57.1 -48.84 77.62 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.479 0.711 . . . . 0.0 111.435 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -55.27 -54.25 45.84 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.361 0.665 . . . . 0.0 111.551 175.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.6 t -54.65 -40.88 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.388 0.675 . . . . 0.0 111.181 179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.39 -56.0 17.24 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.98 0.912 . . . . 0.0 113.234 176.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.0 t -61.87 -40.61 95.98 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.306 -0.871 . . . . 0.0 112.002 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -62.73 -43.87 97.68 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.161 1.385 . . . . 0.0 111.418 175.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.68 -46.86 86.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.325 1.05 . . . . 0.0 113.366 175.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -60.88 -44.05 97.6 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.601 -0.687 . . . . 0.0 112.491 175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 71' ' ' VAL . 60.7 mm-40 -68.22 -52.96 28.23 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.189 0.596 . . . . 0.0 112.39 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -54.66 -43.28 72.26 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.318 1.047 . . . . 0.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.81 -41.72 87.08 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.014 0.926 . . . . 0.0 112.475 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.76 97.82 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.311 0.644 . . . . 0.0 111.741 174.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.1 t -64.17 -43.56 97.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.889 -0.507 . . . . 0.0 110.709 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 75' ' ' LEU . 3.4 tt0 -58.0 -46.09 85.78 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 118.85 0.75 . . . . 0.0 112.375 177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -61.76 -37.95 86.2 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.571 0.748 . . . . 0.0 112.272 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 41.8 tp -62.21 -29.85 70.68 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.863 0.865 . . . . 0.0 112.56 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.738 HD13 ' HB3' ' A' ' 123' ' ' ALA . 12.4 mt -73.23 -43.98 60.3 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.048 1.339 . . . . 0.0 111.349 176.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.78 -36.97 81.43 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.33 -0.856 . . . . 0.0 112.468 175.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -83.15 2.41 35.59 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.214 1.406 . . . . 0.0 114.046 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.29 125.12 25.71 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 119.342 0.973 . . . . 0.0 111.962 174.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -115.93 -17.81 10.87 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.328 1.451 . . . . 0.0 113.006 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 84.1 p -146.27 172.14 13.92 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.564 1.946 . . . . 0.0 111.405 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -61.64 -23.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 124.924 1.29 . . . . 0.0 111.962 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -61.04 -54.04 49.72 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 120.763 -1.211 . . . . 0.0 112.13 177.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtt85 -68.3 -28.28 67.04 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.969 0.908 . . . . 0.0 112.299 175.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.11 -57.54 11.19 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.388 1.075 . . . . 0.0 111.604 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -59.48 -32.95 70.73 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.473 -0.767 . . . . 0.0 112.687 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -60.76 -39.83 90.22 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.445 -0.784 . . . . 0.0 112.261 174.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.96 -34.36 69.84 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.368 -0.833 . . . . 0.0 112.958 176.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HA ' HD23 ' A' ' 91' ' ' LEU . . . -65.3 -38.65 90.88 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.71 -0.619 . . . . 0.0 111.542 174.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.5 m -68.27 -32.33 72.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.814 -1.179 . . . . 0.0 111.885 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.66 ' HB3' HG22 ' A' ' 71' ' ' VAL . 27.2 mmt180 -64.64 -46.01 84.34 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.725 -0.609 . . . . 0.0 111.368 175.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD23 ' HA ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -61.89 -34.81 76.71 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.636 0.775 . . . . 0.0 112.619 177.65 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -57.53 -31.46 66.09 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.805 1.242 . . . . 0.0 113.396 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.05 -38.15 48.4 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.693 1.14 . . . . 0.0 113.157 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' O ' HD12 ' A' ' 98' ' ' ILE . 9.2 mt -61.86 -43.58 98.55 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 117.888 0.844 . . . . 0.0 112.475 175.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -58.92 -37.48 76.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.712 1.142 . . . . 0.0 111.321 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -66.77 -31.32 71.88 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.782 1.233 . . . . 0.0 113.794 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.06 -54.39 46.58 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.804 1.242 . . . . 0.0 109.866 175.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.438 HG23 HD12 ' A' ' 105' ' ' LEU . 3.9 mp -66.31 -41.53 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-O 118.673 -0.679 . . . . 0.0 111.755 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -52.12 -29.68 22.97 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 119.596 1.089 . . . . 0.0 113.53 177.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.53 -59.61 2.67 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.5 0.72 . . . . 0.0 111.962 175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.4 p -90.11 19.75 4.78 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.81 2.044 . . . . 0.0 114.581 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -58.47 -42.11 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 O-C-N 119.923 -1.735 . . . . 0.0 113.693 -174.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -77.5 -6.08 52.28 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.449 1.1 . . . . 0.0 112.805 176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -96.62 -48.51 5.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.685 1.194 . . . . 0.0 111.058 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.438 HD12 HG23 ' A' ' 98' ' ' ILE . 93.7 mt -61.76 132.53 53.46 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.193 0.997 . . . . 0.0 111.165 177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.96 156.8 13.87 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.275 0.63 . . . . 0.0 110.755 175.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.58 -34.92 60.06 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 121.603 -0.686 . . . . 0.0 112.523 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.59 -56.53 18.92 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.755 1.622 . . . . 0.0 111.307 174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.34 -39.48 81.88 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 112.659 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 34.0 tp -56.68 -51.08 70.15 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.178 1.391 . . . . 0.0 110.317 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.4 ttm-85 -62.25 -40.07 94.95 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.3 0.64 . . . . 0.0 112.655 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.5 -35.01 79.04 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.187 1.395 . . . . 0.0 113.297 176.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.81 -52.67 4.9 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 124.02 0.819 . . . . 0.0 112.78 176.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -58.45 -40.23 82.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.407 -1.055 . . . . 0.0 113.251 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -66.02 -31.27 72.06 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.04 97.64 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.928 0.891 . . . . 0.0 111.583 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 8.4 mp -54.02 -46.14 71.73 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.361 1.437 . . . . 0.0 111.411 174.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.71 -37.57 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.853 0.861 . . . . 0.0 112.589 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -58.7 -46.16 87.92 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.545 1.138 . . . . 0.0 111.508 175.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.0 mt -67.54 -41.96 83.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.027 0.931 . . . . 0.0 111.41 176.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -52.9 -26.02 13.59 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.83 1.252 . . . . 0.0 113.756 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.63 83.77 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.376 -0.828 . . . . 0.0 112.141 174.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.738 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -65.21 -31.84 73.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.403 -0.811 . . . . 0.0 111.89 175.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.01 -46.92 82.35 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.858 0.863 . . . . 0.0 110.233 175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -66.13 -19.08 65.73 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 124.373 1.069 . . . . 0.0 113.566 175.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -92.24 -26.91 17.95 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.86 1.664 . . . . 0.0 112.732 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -87.08 -38.38 16.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.602 1.161 . . . . 0.0 111.014 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -54.42 -46.05 73.1 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.172 0.989 . . . . 0.0 112.971 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.8 -27.48 59.91 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 126.03 1.732 . . . . 0.0 114.641 -178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.81 -3.15 55.1 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 125.807 1.67 . . . . 0.0 114.342 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 62.0 mt -112.77 -74.62 0.62 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.704 2.002 . . . . 0.0 110.8 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -78.58 133.75 62.61 Favored Pre-proline 0 CA--C 1.551 1.019 0 C-N-CA 125.336 1.455 . . . . 0.0 111.058 175.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.83 157.59 57.88 Favored 'Trans proline' 0 CA--C 1.541 0.831 0 C-N-CA 122.598 2.199 . . . . 0.0 112.232 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 11.2 ptpp? -95.45 156.48 16.3 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.779 1.232 . . . . 0.0 111.367 175.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.252 1.197 0 C-N-CA 125.159 1.384 . . . . 0.0 112.085 175.531 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 110.68 -0.119 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.31 119.58 6.23 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.994 2.463 . . . . 0.0 111.968 -176.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -59.18 146.22 39.79 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.623 0.769 . . . . 0.0 111.592 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.59 160.26 25.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.329 1.052 . . . . 0.0 111.653 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 76.2 mt -63.61 -33.04 74.72 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.88 0.872 . . . . 0.0 112.653 174.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -68.72 121.79 17.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.286 1.034 . . . . 0.0 111.352 177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -92.64 34.4 1.07 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.077 1.751 . . . . 0.0 114.072 -178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -25.19 4.93 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 -177.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -57.12 -22.02 36.71 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.031 1.332 . . . . 0.0 112.419 175.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -59.32 -26.64 65.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.313 1.045 . . . . 0.0 112.094 174.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -68.92 -53.53 20.48 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.444 1.097 . . . . 0.0 109.533 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -57.62 -16.15 9.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.717 1.207 . . . . 0.0 114.249 175.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -60.36 -20.55 59.91 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.045 0.938 . . . . 0.0 111.379 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 pp -61.89 -24.3 66.85 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.596 1.158 . . . . 0.0 113.417 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -86.37 -29.52 22.88 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.507 1.523 . . . . 0.0 111.621 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.4 t -64.67 -51.49 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 123.965 0.906 . . . . 0.0 110.438 176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.69 -24.95 64.37 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.185 1.18 . . . . 0.0 114.185 176.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.9 tpt85 -64.53 -53.5 46.96 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.956 1.702 . . . . 0.0 111.426 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -77.65 -33.72 53.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.514 1.126 . . . . 0.0 112.265 175.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -60.91 -20.62 62.33 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.933 1.242 . . . . 0.0 113.653 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -67.92 -20.61 65.1 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.822 0.849 . . . . 0.0 113.035 175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -79.28 141.23 37.22 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.643 1.577 . . . . 0.0 110.34 174.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -59.4 141.03 55.55 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.221 0.608 . . . . 0.0 111.878 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -157.7 174.44 15.32 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.402 1.881 . . . . 0.0 111.061 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -81.59 -28.79 33.61 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.634 0.774 . . . . 0.0 110.981 175.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -74.66 -22.46 58.87 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -74.55 -26.9 60.26 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 175.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.5 t -65.37 -22.47 31.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.914 1.285 . . . . 0.0 111.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.15 -21.23 64.92 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.791 -1.193 . . . . 0.0 113.465 175.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -29.39 59.25 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.454 1.102 . . . . 0.0 113.224 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.17 -17.97 65.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.747 1.219 . . . . 0.0 113.127 175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -65.29 -35.32 80.67 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.014 -1.054 . . . . 0.0 111.057 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.6 m -65.35 -30.33 71.16 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 121.328 -0.858 . . . . 0.0 112.078 175.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -60.12 -29.96 68.97 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.522 -0.736 . . . . 0.0 112.606 175.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -59.48 -52.61 64.86 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.215 0.916 . . . . 0.0 110.566 175.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -56.02 -54.7 41.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 123.917 0.887 . . . . 0.0 111.311 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -55.72 -39.11 53.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.189 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -55.98 16.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.226 1.01 . . . . 0.0 112.888 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.417 HG23 HD21 ' A' ' 97' ' ' LEU . 8.1 t -62.58 -39.95 95.33 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.806 -0.559 . . . . 0.0 111.833 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.47 ' CD2' HD22 ' A' ' 94' ' ' LEU . 39.3 t80 -64.99 -47.13 78.64 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.18 0.992 . . . . 0.0 110.799 175.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.39 -52.54 64.25 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.359 1.064 . . . . 0.0 113.1 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 80.4 mtt-85 -57.16 -41.63 79.58 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 118.83 0.741 . . . . 0.0 112.712 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HB2' HD21 ' A' ' 94' ' ' LEU . 30.6 mm-40 -68.22 -56.19 9.59 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.718 0.807 . . . . 0.0 112.005 175.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -35.78 76.6 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.591 1.156 . . . . 0.0 112.441 -174.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.82 84.29 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.09 1.356 . . . . 0.0 112.533 174.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.48 97.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.365 0.666 . . . . 0.0 112.155 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.56 -40.26 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 O-C-N 121.75 -0.593 . . . . 0.0 111.294 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.04 -33.66 69.23 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.187 0.903 . . . . 0.0 112.876 176.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.89 -36.7 64.81 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.236 -0.915 . . . . 0.0 113.274 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.5 tp -59.21 -26.85 65.2 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.204 1.002 . . . . 0.0 112.461 175.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.11 -34.21 77.12 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 123.49 0.716 . . . . 0.0 112.871 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.59 -29.99 62.73 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.143 -0.973 . . . . 0.0 112.624 175.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -80.4 -3.42 49.62 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.68 1.592 . . . . 0.0 113.84 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.88 80.14 0.63 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.834 1.254 . . . . 0.0 112.608 175.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -77.63 -17.22 57.98 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.764 1.225 . . . . 0.0 112.494 174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.0 p -150.12 166.92 28.33 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 126.58 1.952 . . . . 0.0 111.572 177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -58.62 -29.62 39.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 124.659 1.183 . . . . 0.0 112.056 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -52.41 -45.54 65.95 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.136 1.375 . . . . 0.0 113.148 176.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -81.64 -31.97 32.13 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.075 0.95 . . . . 0.0 112.748 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.13 -47.38 85.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.461 1.504 . . . . 0.0 111.461 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -64.1 -37.37 87.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.371 1.468 . . . . 0.0 113.124 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.65 -47.82 82.03 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.49 -0.756 . . . . 0.0 110.998 175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.92 -39.1 71.16 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.874 0.869 . . . . 0.0 112.523 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.72 -19.96 65.87 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.3 t -84.62 -35.18 22.88 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.398 1.079 . . . . 0.0 111.022 174.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 53.5 mmm-85 -60.65 -46.68 89.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.04 0.936 . . . . 0.0 111.198 174.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.17 -36.76 85.09 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.416 0.686 . . . . 0.0 112.632 178.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -58.07 -30.38 66.16 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.1 -35.47 53.4 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 124.569 1.081 . . . . 0.0 113.914 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 64' ' ' PHE . 10.0 mt -62.38 -40.81 97.69 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.231 1.016 . . . . 0.0 112.385 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.93 -28.06 61.69 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-N 119.594 1.088 . . . . 0.0 113.054 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -76.82 -25.22 52.98 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.315 1.446 . . . . 0.0 113.924 177.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.417 HD21 HG23 ' A' ' 63' ' ' THR . 13.4 tp -61.42 -47.14 87.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.156 0.982 . . . . 0.0 109.747 175.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.487 HG23 HD12 ' A' ' 105' ' ' LEU . 3.5 mp -62.08 -41.97 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.767 174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -54.47 -28.82 47.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.31 -54.31 11.27 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.468 -0.77 . . . . 0.0 112.148 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -92.02 18.98 7.2 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.906 2.082 . . . . 0.0 114.216 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.9 p -57.98 -42.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 O-C-N 120.015 -1.678 . . . . 0.0 113.69 -173.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -77.99 -5.68 52.05 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.649 1.18 . . . . 0.0 112.833 176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -98.08 -46.43 5.88 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.371 1.068 . . . . 0.0 110.721 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 98' ' ' ILE . 95.1 mt -61.51 135.89 57.83 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.683 1.193 . . . . 0.0 111.18 175.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.45 161.15 7.79 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.378 0.671 . . . . 0.0 111.487 175.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.43 -33.6 59.78 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.652 -0.655 . . . . 0.0 112.337 175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -67.8 -54.7 17.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.667 1.187 . . . . 0.0 111.022 174.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.54 -39.67 88.69 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.793 1.637 . . . . 0.0 113.021 -173.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.3 tp -59.24 -51.55 69.5 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.998 1.319 . . . . 0.0 110.272 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -35.44 80.22 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.948 0.899 . . . . 0.0 112.214 177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -62.41 -50.86 69.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.872 1.269 . . . . 0.0 111.635 175.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.25 -44.59 97.31 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 123.852 0.739 . . . . 0.0 113.5 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -66.62 -43.07 85.75 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 117.657 0.729 . . . . 0.0 112.677 175.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -64.28 -33.06 74.95 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.51 -51.89 67.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.471 0.709 . . . . 0.0 111.311 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.74 -38.97 73.14 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 113.964 1.098 . . . . 0.0 113.964 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.3 85.07 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 118.361 0.528 . . . . 0.0 112.134 175.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -61.38 -42.44 98.71 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.078 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.79 -40.98 72.24 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.405 1.482 . . . . 0.0 111.699 177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -63.95 -33.42 75.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.447 1.099 . . . . 0.0 112.218 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.94 90.99 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 120.765 -1.209 . . . . 0.0 112.518 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.61 -30.95 71.72 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.407 -0.808 . . . . 0.0 112.285 175.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 124' ' ' LEU . 14.7 mt -70.97 -51.64 24.45 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.529 0.732 . . . . 0.0 111.359 174.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.99 -33.07 66.75 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.107 0.563 . . . . 0.0 112.499 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -65.59 -46.98 77.3 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.559 1.144 . . . . 0.0 111.971 174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -71.74 -32.66 67.95 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.816 0.847 . . . . 0.0 112.859 177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -51.7 -39.6 58.63 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.641 1.577 . . . . 0.0 111.967 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -57.94 -24.89 59.84 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 176.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -99.22 -17.46 27.03 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.438 1.018 . . . . 0.0 114.327 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.4 mt -102.19 -66.28 0.93 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.222 1.809 . . . . 0.0 112.54 -176.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -64.89 133.96 95.91 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.927 1.291 . . . . 0.0 110.531 175.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.3 99.09 0.58 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.251 2.634 . . . . 0.0 110.895 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.97 153.46 21.23 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.649 0.779 . . . . 0.0 112.787 176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.376 1.87 . . . . 0.0 112.63 -177.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 48.8 mtt . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -69.49 -26.63 28.63 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.463 2.775 . . . . 0.0 113.489 -178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -134.75 164.86 26.59 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.932 2.093 . . . . 0.0 110.483 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -146.82 166.93 25.19 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.303 1.841 . . . . 0.0 111.075 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.9 mt 50.87 25.2 2.07 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.218 2.207 . . . . 0.0 114.802 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.1 mm100 -64.41 148.44 50.48 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.868 1.267 . . . . 0.0 113.498 -171.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -85.83 -3.99 59.05 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.931 1.692 . . . . 0.0 113.426 -177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.2 mmt85 -53.98 -46.37 71.67 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 127.273 2.229 . . . . 0.0 113.023 176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.86 -40.35 95.04 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.019 0.528 . . . . 0.0 111.879 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.15 -40.36 93.57 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.245 1.018 . . . . 0.0 112.163 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -67.24 -49.13 65.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.589 0.756 . . . . 0.0 110.547 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -61.99 -35.13 77.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.241 1.016 . . . . 0.0 113.378 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -59.23 -43.01 92.37 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.608 1.963 . . . . 0.0 112.126 175.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.8 mt -67.26 -32.01 72.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 176.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.3 tp10 -75.08 -50.56 16.04 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.954 1.302 . . . . 0.0 112.33 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.39 -34.86 63.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.343 -0.848 . . . . 0.0 111.863 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -58.39 -36.86 74.18 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 121.422 -0.799 . . . . 0.0 112.736 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.1 tpt180 -66.84 -44.23 81.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.305 1.842 . . . . 0.0 112.591 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.61 -26.96 62.8 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.808 0.843 . . . . 0.0 113.149 174.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -77.55 -11.78 59.89 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 126.087 1.755 . . . . 0.0 115.087 174.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.08 -21.86 66.7 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.878 1.217 . . . . 0.0 114.133 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 169.28 9.09 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 127.356 2.262 . . . . 0.0 111.718 175.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mtt180 -80.92 117.32 21.45 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.493 1.517 . . . . 0.0 111.679 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -85.74 155.16 21.16 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.533 1.133 . . . . 0.0 110.728 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 p30 -77.78 -6.12 53.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -61.42 -14.66 29.95 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -70.32 -20.71 62.98 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.579 1.152 . . . . 0.0 113.471 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.58 -24.05 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.54 1.136 . . . . 0.0 111.878 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -67.63 -23.34 65.35 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.727 -1.233 . . . . 0.0 113.289 175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -70.03 -10.46 58.73 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -59.6 -32.66 70.59 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.215 -0.928 . . . . 0.0 110.935 175.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -79.33 -45.51 19.49 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.416 1.486 . . . . 0.0 112.548 175.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 90.5 p -66.71 -37.98 85.8 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.255 -0.903 . . . . 0.0 111.905 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -59.14 -43.64 92.01 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.988 0.915 . . . . 0.0 111.093 174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -56.08 -48.38 76.22 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.16 0.584 . . . . 0.0 111.602 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -56.07 -57.84 10.43 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.323 0.649 . . . . 0.0 111.663 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.11 -42.41 65.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.39 0.676 . . . . 0.0 111.204 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.8 -55.02 22.22 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.537 1.135 . . . . 0.0 112.222 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -63.78 -42.95 97.65 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.027 0.531 . . . . 0.0 111.511 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -56.07 -47.93 77.04 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.701 1.201 . . . . 0.0 111.972 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.28 -47.41 83.72 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.142 0.977 . . . . 0.0 113.005 176.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -64.78 -39.46 93.65 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -67.47 -53.02 32.43 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.202 1.001 . . . . 0.0 111.78 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -56.58 -38.0 71.38 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.189 0.904 . . . . 0.0 111.7 178.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.3 -49.41 77.15 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.937 0.895 . . . . 0.0 111.619 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.42 -42.36 74.02 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.713 0.688 . . . . 0.0 112.368 176.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.518 HG22 ' HB3' ' A' ' 90' ' ' ARG . 11.6 t -66.33 -49.75 73.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 O-C-N 121.932 -0.48 . . . . 0.0 112.262 175.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -63.28 -31.23 72.33 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.021 0.929 . . . . 0.0 112.088 -177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.93 -34.2 59.87 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.201 1.401 . . . . 0.0 112.412 175.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.1 tp -60.24 -23.35 64.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.906 1.282 . . . . 0.0 112.638 174.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.8 mt -60.83 -35.71 77.25 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.003 0.921 . . . . 0.0 112.393 174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 -32.2 60.89 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.135 0.974 . . . . 0.0 112.48 174.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -75.99 -16.0 60.05 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.944 1.298 . . . . 0.0 113.26 175.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.82 76.58 1.14 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.153 1.381 . . . . 0.0 112.852 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -67.24 -20.87 65.74 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.872 1.269 . . . . 0.0 114.198 175.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -142.58 164.25 30.64 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.344 1.857 . . . . 0.0 111.371 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -56.98 -31.2 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.288 1.435 . . . . 0.0 111.947 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.22 -54.63 37.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.994 1.717 . . . . 0.0 112.651 175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.8 mmt85 -70.11 -32.17 70.08 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.213 1.405 . . . . 0.0 112.7 176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 tp -61.78 -47.3 85.76 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.064 0.946 . . . . 0.0 112.203 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -61.09 -27.1 68.12 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.234 -0.916 . . . . 0.0 112.614 177.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -66.52 -44.2 83.13 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.406 -0.809 . . . . 0.0 110.826 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.93 -43.44 77.41 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.374 -0.829 . . . . 0.0 112.445 174.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.13 -20.09 65.74 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 175.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -85.4 -39.15 17.89 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.096 1.358 . . . . 0.0 110.676 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.518 ' HB3' HG22 ' A' ' 71' ' ' VAL . 29.5 mmt180 -58.47 -44.48 89.32 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.692 -0.63 . . . . 0.0 111.848 174.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 pp -67.2 -34.98 78.65 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 177.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -60.97 -31.77 71.34 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.384 -0.823 . . . . 0.0 112.438 175.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -70.0 -28.48 71.7 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.812 1.196 . . . . 0.0 114.009 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.3 mt -64.64 -29.57 70.57 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.876 1.338 . . . . 0.0 113.006 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -63.28 -34.38 77.54 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.67 1.123 . . . . 0.0 111.641 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -62.97 -32.5 73.84 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.578 1.951 . . . . 0.0 113.38 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.36 -56.58 19.74 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.55 1.54 . . . . 0.0 110.388 174.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 105' ' ' LEU . 2.7 mp -62.61 -41.66 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.324 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -56.48 -25.54 51.47 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -75.55 -51.96 11.73 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 121.288 -0.883 . . . . 0.0 111.941 174.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.1 p -94.58 19.19 10.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.772 2.029 . . . . 0.0 114.09 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.9 p -59.39 -41.38 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 119.995 -1.691 . . . . 0.0 113.626 -173.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -77.6 -4.61 46.75 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.48 1.112 . . . . 0.0 112.86 175.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -99.18 -47.12 5.32 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.443 1.097 . . . . 0.0 110.919 178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 98' ' ' ILE . 96.0 mt -62.53 133.44 54.95 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.47 1.108 . . . . 0.0 111.062 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.0 158.15 11.48 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.158 0.583 . . . . 0.0 110.727 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.05 -34.96 63.98 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.671 -0.643 . . . . 0.0 111.921 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -60.58 -58.33 8.93 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.484 1.914 . . . . 0.0 111.284 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.43 -39.43 88.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.929 1.291 . . . . 0.0 112.545 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.8 -50.64 71.73 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.995 1.318 . . . . 0.0 110.426 174.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.48 -35.63 81.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.19 0.996 . . . . 0.0 113.354 176.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -66.97 -36.6 82.57 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.936 1.294 . . . . 0.0 113.005 175.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -75.18 -48.55 10.88 Favored Glycine 0 CA--C 1.528 0.855 0 CA-C-N 119.278 0.944 . . . . 0.0 112.927 176.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -59.77 -43.43 94.36 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 117.896 0.848 . . . . 0.0 113.053 178.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -67.62 -29.8 69.22 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.25 -35.86 82.19 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.936 0.894 . . . . 0.0 112.638 176.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 6.8 mp -60.08 -43.25 95.64 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 119.979 1.263 . . . . 0.0 111.029 174.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.34 -31.82 73.08 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.98 0.912 . . . . 0.0 112.11 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.45 -41.37 93.94 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.811 0.844 . . . . 0.0 111.418 176.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.9 mt -69.86 -40.89 75.47 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.435 1.094 . . . . 0.0 111.515 175.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -56.35 -41.56 76.32 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.607 1.163 . . . . 0.0 113.456 175.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.49 97.64 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.301 -0.874 . . . . 0.0 112.157 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.34 -36.68 84.51 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.212 0.605 . . . . 0.0 111.116 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -52.94 63.45 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.497 1.519 . . . . 0.0 110.448 174.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.45 81.63 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.858 0.688 . . . . 0.0 112.858 178.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -59.13 -45.03 91.98 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.489 -0.757 . . . . 0.0 112.767 175.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -60.69 -37.93 83.28 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.317 1.047 . . . . 0.0 111.833 175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -61.22 -33.09 72.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.839 1.256 . . . . 0.0 113.514 176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -58.65 -30.79 67.59 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.279 1.032 . . . . 0.0 113.755 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -91.27 -26.09 22.13 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.113 0.863 . . . . 0.0 114.259 176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 69.7 mt -84.08 -59.56 2.37 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.262 1.425 . . . . 0.0 113.041 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -61.18 136.14 93.8 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 124.729 1.212 . . . . 0.0 111.096 178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.04 151.78 73.13 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.649 2.232 . . . . 0.0 112.222 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -80.42 114.48 19.35 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.734 1.213 . . . . 0.0 110.599 175.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.127 1.771 . . . . 0.0 112.841 177.642 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 77.5 mtp . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -74.91 175.13 11.62 Favored 'Trans proline' 0 CA--C 1.543 0.939 0 C-N-CA 123.52 2.814 . . . . 0.0 112.924 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -123.94 -49.15 1.86 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.013 1.325 . . . . 0.0 112.673 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -61.89 137.34 58.24 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.918 0.887 . . . . 0.0 112.186 177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.84 -40.25 5.09 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.603 1.961 . . . . 0.0 112.398 178.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -77.72 85.95 4.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.195 0.998 . . . . 0.0 110.829 175.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -143.27 141.59 31.09 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.168 1.387 . . . . 0.0 111.116 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.38 -26.01 68.55 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.983 1.313 . . . . 0.0 113.275 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.95 -34.43 22.46 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.593 0.757 . . . . 0.0 112.698 174.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -58.2 -44.94 88.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.572 1.078 . . . . 0.0 111.501 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -63.45 -26.93 68.95 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 174.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.0 mtp180 -82.37 -28.77 31.3 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.663 1.185 . . . . 0.0 113.441 175.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -64.0 -25.37 68.09 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.197 1.399 . . . . 0.0 112.899 175.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.2 mt -59.26 -27.55 65.9 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -65.23 -35.58 81.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.793 1.237 . . . . 0.0 111.746 174.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 t -81.84 -36.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 125.038 1.335 . . . . 0.0 111.303 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -57.77 -27.16 62.8 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 121.242 -0.911 . . . . 0.0 113.352 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -54.47 -38.26 66.19 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.781 1.632 . . . . 0.0 112.741 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -78.68 -35.05 45.71 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.97 1.708 . . . . 0.0 112.582 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -69.45 -31.65 70.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.046 0.938 . . . . 0.0 112.937 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -60.7 -17.66 49.39 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.88 1.672 . . . . 0.0 114.038 175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -69.29 -19.26 63.9 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.413 1.485 . . . . 0.0 113.922 175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -71.82 -177.04 1.83 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.171 1.789 . . . . 0.0 111.312 174.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.04 115.5 2.07 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.003 1.321 . . . . 0.0 112.062 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -73.87 -14.35 61.06 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.534 0.938 . . . . 0.0 113.534 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -62.0 -18.8 61.69 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -65.59 -23.28 66.8 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 175.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.14 -18.71 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 124.655 1.182 . . . . 0.0 111.817 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -60.52 -33.35 72.51 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 120.468 -1.395 . . . . 0.0 112.289 177.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -62.49 -30.44 71.27 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.089 1.755 . . . . 0.0 114.274 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.8 -43.29 99.14 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.658 1.183 . . . . 0.0 111.23 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -76.27 -36.24 58.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.501 1.12 . . . . 0.0 112.764 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 54.0 m -61.54 -45.07 95.71 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.079 -1.013 . . . . 0.0 111.414 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -64.77 -39.44 93.62 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.583 -0.698 . . . . 0.0 111.871 175.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -55.69 -45.11 77.86 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.439 0.696 . . . . 0.0 111.95 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -54.58 -53.98 47.34 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.24 0.616 . . . . 0.0 111.86 175.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.02 -42.03 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 123.515 0.726 . . . . 0.0 110.885 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 -59.36 5.23 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.567 0.747 . . . . 0.0 112.666 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.414 HG23 HD21 ' A' ' 97' ' ' LEU . 12.3 t -59.89 -41.72 92.21 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 121.731 -0.606 . . . . 0.0 112.087 -179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 94' ' ' LEU . 47.2 t80 -63.45 -48.75 76.43 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.132 1.373 . . . . 0.0 112.296 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.54 -44.68 81.09 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.23 1.012 . . . . 0.0 112.371 176.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -38.71 78.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.958 0.903 . . . . 0.0 112.409 178.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -65.65 -51.72 57.3 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.508 0.723 . . . . 0.0 111.337 174.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -56.24 -36.15 68.19 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.657 0.662 . . . . 0.0 111.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.72 88.02 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.454 1.102 . . . . 0.0 112.648 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.54 86.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.079 0.552 . . . . 0.0 111.637 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.441 HG22 ' HB3' ' A' ' 90' ' ' ARG . 16.7 t -66.31 -50.65 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 C-N-CA 123.847 0.859 . . . . 0.0 110.755 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.41 -36.39 66.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.563 1.545 . . . . 0.0 112.147 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -69.87 -39.42 76.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.26 1.024 . . . . 0.0 113.015 175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.5 tt -57.53 -34.28 68.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.035 176.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 123' ' ' ALA . 9.7 mt -59.82 -29.6 68.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.127 0.971 . . . . 0.0 113.617 177.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -84.28 -32.76 24.22 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.423 1.089 . . . . 0.0 111.718 175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -77.01 -6.4 52.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 126.128 1.771 . . . . 0.0 114.39 175.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.72 68.19 3.74 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.338 1.455 . . . . 0.0 113.241 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -72.75 -18.57 61.49 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 124.376 1.071 . . . . 0.0 113.285 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.9 m -138.51 159.14 42.84 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.535 1.934 . . . . 0.0 111.505 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 45.2 t -57.9 -31.74 41.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.945 1.298 . . . . 0.0 112.493 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -55.36 -41.59 72.77 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.783 1.233 . . . . 0.0 113.151 175.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -82.64 -34.45 27.5 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.046 1.338 . . . . 0.0 111.722 174.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.81 -44.55 82.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.149 0.98 . . . . 0.0 111.953 175.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.81 -34.06 76.98 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 120.779 -1.201 . . . . 0.0 113.071 174.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.16 -37.75 88.44 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.931 0.892 . . . . 0.0 112.573 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' HB2' HD22 ' A' ' 74' ' ' LEU . . . -53.75 -45.26 70.51 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 121.193 -0.942 . . . . 0.0 113.445 175.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 -33.77 73.19 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.53 -0.731 . . . . 0.0 111.888 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.8 m -74.99 -12.45 60.34 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.103 -0.998 . . . . 0.0 113.304 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HB3' HG22 ' A' ' 71' ' ' VAL . 55.1 mmm-85 -87.36 -42.91 12.52 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 174.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -26.31 61.75 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.049 1.34 . . . . 0.0 113.43 176.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -56.85 -36.4 69.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.204 -0.935 . . . . 0.0 112.119 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -74.54 -28.78 62.77 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 125.864 1.697 . . . . 0.0 113.11 177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' A' ' 64' ' ' PHE . 5.5 mt -63.64 -36.52 84.1 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 118.024 0.912 . . . . 0.0 110.975 175.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -62.08 -36.84 82.89 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.055 0.843 . . . . 0.0 111.089 178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 40.5 tttt -62.01 -37.15 83.76 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.37 1.468 . . . . 0.0 113.139 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 HD21 HG23 ' A' ' 63' ' ' THR . 20.8 tp -56.77 -53.53 56.75 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.123 1.369 . . . . 0.0 111.149 176.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.576 HG23 HD12 ' A' ' 105' ' ' LEU . 3.7 mp -66.24 -46.34 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 119.053 -0.499 . . . . 0.0 110.49 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -54.54 -31.09 55.73 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -70.14 -49.26 52.35 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.325 -0.859 . . . . 0.0 112.338 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.4 m -102.4 26.49 7.76 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.505 1.522 . . . . 0.0 113.143 -176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.565 HG23 HD21 ' A' ' 110' ' ' LEU . 5.4 p -62.4 -41.71 92.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.187 -1.57 . . . . 0.0 113.371 -172.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -78.19 -3.51 43.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.66 0.784 . . . . 0.0 112.459 175.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -97.28 -48.48 5.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.695 1.198 . . . . 0.0 111.356 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.576 HD12 HG23 ' A' ' 98' ' ' ILE . 73.3 mt -61.06 137.36 58.24 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 111.653 175.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.07 153.76 20.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.43 0.692 . . . . 0.0 111.212 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.54 -32.85 29.56 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 123.916 0.886 . . . . 0.0 113.117 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -68.28 -63.27 1.09 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.695 1.598 . . . . 0.0 111.012 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -34.43 70.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.993 1.717 . . . . 0.0 112.874 -176.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -60.39 -61.57 2.5 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 124.975 1.31 . . . . 0.0 110.301 174.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -60.22 -32.84 71.5 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.684 0.794 . . . . 0.0 112.612 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -62.49 -50.96 69.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.198 1.399 . . . . 0.0 111.624 175.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.47 -48.03 72.61 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.665 0.65 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -59.26 -36.68 75.94 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 118.359 1.079 . . . . 0.0 113.262 177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.62 -33.61 75.99 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.58 91.29 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.699 0.8 . . . . 0.0 112.9 178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 7.7 mp -54.68 -45.02 73.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.854 1.206 . . . . 0.0 111.96 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.63 -31.55 72.82 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.841 0.856 . . . . 0.0 112.12 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -61.55 -41.87 98.01 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.631 1.172 . . . . 0.0 111.299 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.403 HD13 ' HB ' ' A' ' 71' ' ' VAL . 25.1 mt -69.36 -42.94 74.57 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.412 1.485 . . . . 0.0 110.461 175.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -57.57 -43.18 84.35 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.522 1.129 . . . . 0.0 113.515 174.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.43 -51.12 70.82 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.482 -0.761 . . . . 0.0 112.159 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 75' ' ' LEU . . . -57.1 -26.37 60.33 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.153 0.798 . . . . 0.0 113.153 174.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -71.72 -49.51 38.63 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.847 0.859 . . . . 0.0 110.637 174.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.88 -30.19 71.34 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.333 1.053 . . . . 0.0 113.569 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.14 -50.21 73.52 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.294 1.038 . . . . 0.0 111.739 175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -77.44 -28.97 52.64 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 118.858 -0.592 . . . . 0.0 112.566 175.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -50.04 -41.29 47.34 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.006 0.923 . . . . 0.0 112.241 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 ttt85 -55.52 -28.32 54.03 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.45 -26.02 8.41 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.933 1.254 . . . . 0.0 114.362 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 63.8 mt -82.14 -73.31 0.4 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.493 1.517 . . . . 0.0 112.514 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.0 tp60 -79.46 133.91 59.08 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 125.092 1.357 . . . . 0.0 110.203 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.37 160.52 48.72 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.296 1.997 . . . . 0.0 112.306 176.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -71.28 172.23 9.7 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.973 0.909 . . . . 0.0 111.737 174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.578 1.551 . . . . 0.0 112.01 175.253 . . . . . . . . 0 0 . 1 stop_ save_