data_1wr0_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 1wr0 _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 ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.507 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.507 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.49 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.921 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.051 -0.499 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.471 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . 0.265 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.506 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.499 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.485 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.509 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.629 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.83 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.814 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t30 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.775 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -66.92 -47.78 70.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.777 1.231 . . . . 0.0 112.796 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 38.72 52.23 1.84 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.421 2.688 . . . . 0.0 114.033 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.28 -22.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 129.003 2.921 . . . . 0.0 116.466 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.3 tpt -58.03 -28.96 64.95 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.607 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -64.18 -19.88 65.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 m -135.4 -10.53 2.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 m -132.67 131.95 41.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.264 1.825 . . . . 0.0 110.422 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 p -68.13 156.98 88.64 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.79 -30.53 49.7 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.012 1.808 . . . . 0.0 112.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.67 -45.24 83.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.488 0.715 . . . . 0.0 111.613 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.507 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.507 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.89 -37.39 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -85.8 -22.07 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -130.39 -21.02 2.92 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -136.25 24.68 3.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.727 1.611 . . . . 0.0 113.871 -169.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 159.93 6.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -145.14 158.27 43.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.214 1.806 . . . . 0.0 110.996 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.45 74.56 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.957 1.265 . . . . 0.0 115.588 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t70 48.86 -89.45 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.782 2.433 . . . . 0.0 113.883 -173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -71.42 -25.09 62.19 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.301 1.44 . . . . 0.0 113.452 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.43 59.32 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -50.9 -25.66 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.259 1.824 . . . . 0.0 114.414 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -21.36 49.9 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.655 1.582 . . . . 0.0 113.688 172.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -52.34 -48.75 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 112.421 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -74.05 -30.95 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.314 -0.866 . . . . 0.0 112.441 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -38.54 107.2 0.06 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.868 2.467 . . . . 0.0 113.649 -176.411 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -60.0 -20.66 58.96 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.68 -21.36 39.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.006 1.722 . . . . 0.0 114.223 171.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -72.68 -8.77 56.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.995 1.318 . . . . 0.0 113.379 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 0.0 OUTLIER 49.12 -9.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 1 C-N-CA 131.965 4.106 . . . . 0.0 119.218 -178.943 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -63.09 -32.21 73.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.35 1.46 . . . . 0.0 113.605 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m 60.93 -2.34 0.2 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.53 2.732 . . . . 0.0 116.608 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 m -70.42 130.72 42.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.233 1.413 . . . . 0.0 111.004 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -68.27 158.05 85.66 Favored Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 121.731 -0.605 . . . . 0.0 112.372 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -64.3 -34.86 53.93 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.923 1.749 . . . . 0.0 112.279 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -66.45 -42.24 87.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.77 0.828 . . . . 0.0 111.944 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.67 -42.12 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -67.74 -17.6 64.61 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.241 -0.912 . . . . 0.0 113.418 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -124.05 -31.97 3.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.094 1.358 . . . . 0.0 114.078 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -136.63 27.73 3.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.661 1.585 . . . . 0.0 114.246 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.71 2.83 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -142.07 154.77 45.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.154 1.782 . . . . 0.0 110.774 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.18 179.73 37.74 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.991 1.281 . . . . 0.0 114.548 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.48 -49.96 24.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.251 1.021 . . . . 0.0 112.662 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -132.52 -10.82 3.18 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -30.24 59.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.632 1.173 . . . . 0.0 114.121 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -48.28 -27.77 2.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.743 2.417 . . . . 0.0 115.201 169.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.08 -23.03 53.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.916 1.687 . . . . 0.0 113.528 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -51.89 -46.9 64.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.698 1.599 . . . . 0.0 114.021 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -82.33 -26.77 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 O-C-N 121.396 -0.815 . . . . 0.0 112.987 -177.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.0 -48.64 52.31 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.682 2.793 . . . . 0.0 113.618 -177.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -67.12 -3.08 6.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.183 1.793 . . . . 0.0 115.217 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.41 -33.01 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.765 2.426 . . . . 0.0 113.688 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -61.34 -16.03 41.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.051 1.74 . . . . 0.0 114.826 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.01 -16.91 61.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.349 1.06 . . . . 0.0 113.41 172.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 62.36 -33.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.472 3.109 . . . . 0.0 116.8 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -75.98 -4.78 43.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.981 1.712 . . . . 0.0 114.353 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -61.79 131.24 49.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.882 1.673 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -68.46 145.52 97.28 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 118.97 -0.538 . . . . 0.0 112.371 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.21 -43.16 50.44 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.722 2.948 . . . . 0.0 114.24 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -63.28 -37.96 89.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.424 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.49 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -73.14 -29.32 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -76.23 -17.97 59.25 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.769 1.168 . . . . 0.0 113.388 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -122.65 -27.47 4.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.115 1.366 . . . . 0.0 114.02 -170.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -136.4 -147.91 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.019 2.527 . . . . 0.0 110.861 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 66.25 178.81 0.21 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.583 2.353 . . . . 0.0 114.718 -173.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.46 161.14 42.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.654 1.982 . . . . 0.0 111.865 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.08 -148.45 47.73 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.918 -0.489 . . . . 0.0 112.886 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -125.17 -65.47 1.02 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.348 172.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.14 -36.59 63.46 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.46 62.27 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.854 1.261 . . . . 0.0 114.247 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -86.03 -37.93 18.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.801 1.64 . . . . 0.0 111.506 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -57.47 -31.86 66.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.668 0.787 . . . . 0.0 112.403 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -50.45 -43.48 55.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.526 1.53 . . . . 0.0 113.647 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 -38.51 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.954 0.797 . . . . 0.0 111.921 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -44.73 52.78 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.254 1.309 0 C-N-CA 128.249 2.619 . . . . 0.0 113.065 -172.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -70.9 -15.3 62.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.847 1.259 . . . . 0.0 114.295 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -70.23 73.41 0.48 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.722 2.809 . . . . 0.0 113.706 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -82.37 2.57 31.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.704 1.601 . . . . 0.0 114.191 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.6 ttm 66.76 -37.47 0.3 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.032 2.933 . . . . 0.0 114.559 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -72.43 -3.64 25.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.818 1.647 . . . . 0.0 113.693 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.36 153.42 12.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.114 2.165 . . . . 0.0 113.705 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m -133.03 147.14 52.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.726 1.61 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -68.96 146.68 97.51 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 -45.48 36.53 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.449 2.766 . . . . 0.0 113.778 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -74.26 -25.06 59.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.871 0.868 . . . . 0.0 113.142 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.491 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.34 -57.06 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -70.56 -23.78 62.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -124.57 -20.62 5.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -136.27 9.95 3.23 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -169.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 156.95 14.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -137.35 153.41 50.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.695 1.998 . . . . 0.0 109.894 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.61 21.26 66.84 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t70 39.87 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.801 2.84 . . . . 0.0 114.828 -171.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.25 -19.47 5.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.36 2.264 . . . . 0.0 115.024 -171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.72 12.3 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.335 1.454 . . . . 0.0 113.996 171.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -51.91 -25.2 7.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.555 1.942 . . . . 0.0 115.541 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.27 -27.02 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.163 1.385 . . . . 0.0 112.846 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.6 p -53.61 -46.02 70.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.574 1.55 . . . . 0.0 113.914 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -28.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 174.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -47.68 45.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.922 1.689 . . . . 0.0 112.617 -179.194 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -143.04 -11.15 0.76 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.308 1.443 . . . . 0.0 114.707 -175.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -151.02 168.1 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.541 1.064 . . . . 0.0 112.321 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.8 168.21 20.49 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.912 1.285 . . . . 0.0 111.595 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtm 55.41 -73.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.473 2.709 . . . . 0.0 115.191 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -70.26 -6.38 34.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.831 2.052 . . . . 0.0 114.267 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m 67.37 -28.31 0.14 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.292 3.037 . . . . 0.0 115.779 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -142.13 162.52 35.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.404 2.282 . . . . 0.0 108.825 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -67.94 138.14 92.58 Favored Pre-proline 0 N--CA 1.472 0.66 0 O-C-N 121.114 -0.991 . . . . 0.0 111.778 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.36 -44.27 44.38 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 124.01 3.14 . . . . 0.0 114.5 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.59 -41.69 98.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.485 0.714 . . . . 0.0 112.085 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.566 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.566 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.52 -16.0 63.24 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.94 -26.59 2.15 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.963 1.305 . . . . 0.0 113.664 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -141.49 38.12 1.69 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.408 1.883 . . . . 0.0 112.807 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.64 145.8 6.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.557 1.143 . . . . 0.0 113.952 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -125.11 157.42 36.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.105 1.362 . . . . 0.0 112.564 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.58 -175.21 7.56 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 126.164 1.84 . . . . 0.0 115.019 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -71.81 -46.77 57.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.357 1.063 . . . . 0.0 111.22 169.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -132.68 -10.85 3.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 0.0 114.339 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.15 54.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.06 1.344 . . . . 0.0 114.081 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -45.42 -36.19 4.18 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.326 2.25 . . . . 0.0 114.942 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -68.7 -23.75 64.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.558 1.143 . . . . 0.0 113.222 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.9 t -58.95 -49.37 78.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.8 0.84 . . . . 0.0 111.789 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -42.25 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.544 0.611 . . . . 0.0 110.811 175.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -34.93 105.86 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.653 2.381 . . . . 0.0 113.643 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -73.49 -11.03 60.32 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.15 174.91 10.08 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.469 1.907 . . . . 0.0 111.065 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -119.97 -9.76 9.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.194 1.798 . . . . 0.0 114.492 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.76 124.41 21.88 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.284 1.033 . . . . 0.0 111.427 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -135.71 83.23 2.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.234 1.414 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 p -73.61 -36.29 65.47 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 113.565 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -139.94 139.71 36.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.968 2.107 . . . . 0.0 109.583 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 156.27 89.78 Favored Pre-proline 0 N--CA 1.473 0.712 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.06 -30.92 55.95 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.919 1.746 . . . . 0.0 112.102 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -66.28 -44.25 84.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.064 0.945 . . . . 0.0 112.449 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.503 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.503 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.98 -35.73 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -75.01 -21.36 59.15 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -126.08 -28.21 3.18 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -169.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.56 25.5 4.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 -169.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.82 148.93 47.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.136 0.974 . . . . 0.0 112.338 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.74 157.03 44.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.496 1.518 . . . . 0.0 111.659 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.34 153.04 4.59 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.856 1.217 . . . . 0.0 111.909 -169.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.69 -50.34 58.13 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.224 -1.163 . . . . 0.0 112.61 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -65.88 -30.47 71.08 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.84 -42.4 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.218 1.007 . . . . 0.0 111.886 170.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -73.29 -50.09 24.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.862 1.665 . . . . 0.0 111.187 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -54.61 -37.2 65.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.808 1.243 . . . . 0.0 112.72 -175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 t -55.62 -52.3 64.28 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.865 1.266 . . . . 0.0 112.793 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -71.95 -35.13 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.238 0.926 . . . . 0.0 111.968 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -50.4 26.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.833 1.653 . . . . 0.0 112.721 -173.009 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -67.57 157.99 33.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.576 1.151 . . . . 0.0 113.118 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.07 -3.82 38.04 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.823 1.649 . . . . 0.0 113.342 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.74 70.92 0.49 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.547 1.939 . . . . 0.0 112.179 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.4 mmt -79.55 -9.77 59.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.726 1.611 . . . . 0.0 114.619 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -66.22 166.26 12.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.159 1.384 . . . . 0.0 113.46 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -124.52 176.43 6.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.948 1.699 . . . . 0.0 113.587 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -112.08 116.19 30.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.687 1.595 . . . . 0.0 110.328 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.6 m -69.92 154.3 94.78 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.73 -38.9 67.51 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.68 2.92 . . . . 0.0 114.598 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -63.38 -37.72 88.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 112.326 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.504 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -37.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -78.73 -21.04 48.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -129.51 -24.94 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -146.56 32.8 0.96 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.753 1.221 . . . . 0.0 113.605 -169.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.22 167.81 4.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.913 1.285 . . . . 0.0 114.224 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -132.96 157.67 44.58 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.927 1.691 . . . . 0.0 111.47 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.98 177.99 9.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.627 1.584 . . . . 0.0 115.137 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.53 -83.69 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.404 1.082 . . . . 0.0 110.705 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -73.85 -25.76 60.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.819 1.248 . . . . 0.0 113.665 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -36.1 53.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.434 1.494 . . . . 0.0 114.823 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -56.27 -24.22 41.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.689 1.596 . . . . 0.0 115.25 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -60.87 -19.8 60.8 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.048 1.339 . . . . 0.0 113.125 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -55.06 -41.33 71.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.138 1.375 . . . . 0.0 113.593 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.03 -33.84 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.037 0.835 . . . . 0.0 112.029 173.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.77 104.89 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.682 1.993 . . . . 0.0 113.713 179.175 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -64.83 -16.12 62.7 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.57 -26.91 62.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.301 1.44 . . . . 0.0 114.014 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.44 -17.73 64.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.075 1.35 . . . . 0.0 113.973 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptm 48.2 -1.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 131.159 3.784 . . . . 0.0 119.031 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -73.95 -13.71 60.93 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.732 1.613 . . . . 0.0 114.4 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 m -66.59 -33.98 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 114.351 -175.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -83.48 148.03 27.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.065 1.346 . . . . 0.0 110.899 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -68.19 141.45 93.93 Favored Pre-proline 0 N--CA 1.471 0.61 0 O-C-N 121.387 -0.82 . . . . 0.0 112.284 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.7 -44.1 46.69 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.883 3.055 . . . . 0.0 114.254 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.37 -41.08 96.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.607 0.763 . . . . 0.0 112.174 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.471 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.471 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.83 -36.92 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -60.98 -23.21 65.2 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.204 1.365 . . . . 0.0 112.675 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -116.01 -28.83 6.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.274 1.429 . . . . 0.0 113.673 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -133.18 21.26 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -169.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.16 109.11 0.23 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.797 1.239 . . . . 0.0 113.519 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -80.13 101.4 8.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.305 1.042 . . . . 0.0 110.447 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.89 173.32 40.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.514 1.054 . . . . 0.0 113.911 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.4 -63.86 0.97 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.795 1.238 . . . . 0.0 113.936 -170.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -72.07 -25.75 61.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -170.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.37 51.15 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.429 1.492 . . . . 0.0 114.712 -171.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -57.46 -31.42 65.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.032 1.333 . . . . 0.0 114.231 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -64.62 -26.29 68.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.036 0.934 . . . . 0.0 112.93 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 m -60.11 -41.98 93.74 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 113.399 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . 0.265 0.5 OUTLIER -82.97 -30.87 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.499 1.045 . . . . 0.0 113.671 170.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.91 -32.8 73.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.106 2.162 . . . . 0.0 113.283 -173.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -147.28 171.77 14.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.825 1.65 . . . . 0.0 112.497 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -131.9 169.54 16.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.783 2.033 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -56.37 -34.32 66.56 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.644 -1.285 . . . . 0.0 112.277 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.0 tpt -62.25 -34.01 75.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.335 1.454 . . . . 0.0 113.26 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -70.73 -35.7 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.53 1.132 . . . . 0.0 113.82 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 m -139.19 89.74 2.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.417 1.087 . . . . 0.0 113.323 -169.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -64.41 127.46 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.187 0.995 . . . . 0.0 110.127 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -67.78 148.63 98.48 Favored Pre-proline 0 N--CA 1.473 0.683 0 O-C-N 121.478 -0.764 . . . . 0.0 112.166 -175.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.71 -41.89 59.56 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.465 2.776 . . . . 0.0 113.991 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.73 -39.15 93.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.126 0.571 . . . . 0.0 112.129 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -65.3 -37.27 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -84.11 -24.8 30.14 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.5 -18.42 5.72 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -170.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -131.93 19.38 4.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.59 1.556 . . . . 0.0 114.183 -172.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.7 150.37 12.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.948 1.299 . . . . 0.0 113.979 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -147.34 101.68 3.4 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.931 1.292 . . . . 0.0 110.379 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.07 169.09 41.09 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.836 1.208 . . . . 0.0 113.194 -170.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.36 -70.07 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 112.918 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.18 -23.83 66.84 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.359 1.063 . . . . 0.0 113.824 -173.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.31 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.874 1.27 . . . . 0.0 113.45 172.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -67.06 -50.17 62.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.671 1.188 . . . . 0.0 111.719 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -56.74 -25.55 55.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.576 1.551 . . . . 0.0 113.466 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -52.54 -51.05 61.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.378 1.471 . . . . 0.0 113.123 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -29.85 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 118.922 0.783 . . . . 0.0 112.552 177.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.97 -35.35 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.394 1.878 . . . . 0.0 112.221 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -74.96 -11.64 60.16 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.049 1.34 . . . . 0.0 114.346 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.63 153.9 26.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.41 1.484 . . . . 0.0 113.184 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -150.46 -30.46 0.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.7 tpt -53.96 117.69 3.41 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.951 1.3 . . . . 0.0 111.553 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m 62.79 -24.39 0.06 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.247 2.619 . . . . 0.0 115.968 -170.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.0 m -67.72 -36.23 80.22 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.794 1.637 . . . . 0.0 113.583 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -145.6 129.2 17.07 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.402 1.481 . . . . 0.0 111.291 -169.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.59 147.54 98.04 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.9 -42.69 62.12 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.383 2.722 . . . . 0.0 114.08 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -66.89 -30.65 70.87 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.477 0.711 . . . . 0.0 112.898 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.506 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.95 -17.06 64.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.965 -1.085 . . . . 0.0 113.335 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -121.73 -36.25 3.07 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.04 15.24 3.88 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -169.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 163.27 7.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -144.11 160.35 41.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.23 . . . . 0.0 110.091 169.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 -164.3 38.33 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.651 0.643 . . . . 0.0 113.558 -173.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.5 -76.94 0.58 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.674 1.189 . . . . 0.0 112.126 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -18.51 65.41 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.49 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.366 1.066 . . . . 0.0 113.275 170.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.26 -55.19 11.25 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 170.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -56.25 -30.62 62.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.653 1.581 . . . . 0.0 113.405 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -51.93 -41.26 61.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.836 1.254 . . . . 0.0 113.712 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -82.6 -33.74 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.567 1.076 . . . . 0.0 112.948 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -52.01 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 mttm . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.285 1.834 . . . . 0.0 113.03 -175.289 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -143.82 175.84 9.7 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.904 1.681 . . . . 0.0 112.401 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -140.88 159.95 41.11 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.952 1.701 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -19.53 60.29 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.74 31.08 0.13 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.255 1.822 . . . . 0.0 113.087 170.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -58.58 -15.37 11.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.479 1.912 . . . . 0.0 115.728 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.9 m -62.45 -28.76 70.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.804 1.242 . . . . 0.0 113.212 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -73.56 122.12 21.72 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.556 1.143 . . . . 0.0 109.754 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -69.0 153.71 95.83 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 122.943 0.497 . . . . 0.0 112.065 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.22 -35.76 61.39 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.237 1.958 . . . . 0.0 112.099 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -63.47 -35.41 80.34 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.722 0.809 . . . . 0.0 112.538 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.488 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.26 -57.32 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -61.4 -18.97 61.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -169.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -123.63 -29.13 3.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.132 1.373 . . . . 0.0 114.018 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -137.84 21.06 2.86 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 152.07 9.03 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.73 -1.231 . . . . 0.0 113.528 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -135.93 102.0 4.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.829 1.652 . . . . 0.0 110.801 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.16 174.7 23.51 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.621 1.581 . . . . 0.0 114.059 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.98 -70.31 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.429 1.092 . . . . 0.0 112.765 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -68.44 -21.63 64.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.921 1.288 . . . . 0.0 114.139 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.32 -43.3 64.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.223 1.409 . . . . 0.0 113.827 -171.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.39 -31.64 66.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -84.38 -13.12 53.15 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.66 1.184 . . . . 0.0 113.49 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -60.17 -57.25 13.6 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.163 -0.961 . . . . 0.0 113.053 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.8 pp -72.16 -18.96 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -31.64 42.27 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mttp . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.799 1.639 . . . . 0.0 113.626 178.349 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -63.74 157.5 24.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.707 1.203 . . . . 0.0 112.846 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.35 -19.17 34.09 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -67.92 95.82 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 -171.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.6 mtp 58.8 15.07 3.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.06 2.144 . . . . 0.0 115.461 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -62.45 98.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.657 1.983 . . . . 0.0 112.654 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 m 62.84 -57.29 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 128.813 2.845 . . . . 0.0 114.732 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.9 m -66.18 128.59 36.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.773 1.629 . . . . 0.0 110.617 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -68.21 148.88 98.28 Favored Pre-proline 0 N--CA 1.47 0.545 0 C-N-CA 123.798 0.839 . . . . 0.0 111.716 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.96 -29.23 75.64 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 122.438 2.092 . . . . 0.0 113.373 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.55 -43.3 99.15 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 112.251 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.46 -34.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -68.25 -21.51 64.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.102 1.319 . . . . 0.0 113.09 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -123.46 -29.16 3.82 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -130.56 22.45 5.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.416 1.486 . . . . 0.0 114.276 -169.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.55 154.73 8.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.33 1.052 . . . . 0.0 113.735 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -146.22 131.4 18.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.613 1.565 . . . . 0.0 110.555 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.29 169.6 32.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.252 1.406 . . . . 0.0 114.524 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.48 152.15 42.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.31 1.044 . . . . 0.0 112.246 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 57.91 -21.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.016 3.326 . . . . 0.0 117.704 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 -21.33 25.34 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.091 2.156 . . . . 0.0 115.515 -172.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -54.86 -40.22 69.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 112.441 171.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -59.82 -26.02 65.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.277 1.431 . . . . 0.0 113.436 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 m -56.95 -43.92 82.05 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.447 1.499 . . . . 0.0 113.796 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -32.51 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.184 0.902 . . . . 0.0 112.883 171.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -42.47 60.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.812 2.045 . . . . 0.0 113.23 -178.045 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -74.51 -16.4 60.84 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.75 -19.75 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.958 2.903 . . . . 0.0 116.165 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -74.4 -5.7 43.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.296 1.838 . . . . 0.0 114.865 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.1 112.85 1.66 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.278 1.431 . . . . 0.0 112.357 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -72.54 174.84 6.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.102 1.361 . . . . 0.0 113.25 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.29 169.25 7.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.549 1.939 . . . . 0.0 113.713 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -137.18 148.48 46.61 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.613 1.965 . . . . 0.0 109.679 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -68.54 149.01 98.13 Favored Pre-proline 0 N--CA 1.475 0.825 0 CA-C-N 119.104 0.865 . . . . 0.0 112.612 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.4 -40.04 72.1 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.353 2.702 . . . . 0.0 114.195 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -66.1 -47.22 74.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.901 0.88 . . . . 0.0 112.06 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.485 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.485 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.38 -37.63 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.78 -16.79 62.11 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.129 1.331 . . . . 0.0 113.095 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -119.85 -33.67 3.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 113.623 -171.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -132.05 24.01 4.56 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 107.97 0.26 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.619 1.168 . . . . 0.0 113.194 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -78.69 101.87 7.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.564 1.146 . . . . 0.0 111.126 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.35 170.44 45.14 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.361 1.458 . . . . 0.0 114.421 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -69.18 154.67 41.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.378 1.071 . . . . 0.0 112.65 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 57.21 -21.17 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.284 3.434 . . . . 0.0 117.433 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.51 39.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.539 1.936 . . . . 0.0 114.359 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -52.62 -30.57 32.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.114 1.766 . . . . 0.0 114.814 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -22.12 66.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 112.448 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -53.37 -47.29 69.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.846 1.259 . . . . 0.0 113.398 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -82.93 -26.97 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -53.24 6.0 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 129.232 3.013 . . . . 0.0 114.499 -175.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -68.49 163.12 24.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.348 1.059 . . . . 0.0 112.864 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.66 0.45 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.009 2.123 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -62.87 136.65 57.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.3 mtt -69.82 164.1 24.38 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.409 1.084 . . . . 0.0 112.581 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -72.31 162.26 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.369 1.068 . . . . 0.0 112.7 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 m -74.56 -24.58 58.95 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 m -72.22 110.36 6.61 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.209 1.004 . . . . 0.0 112.087 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -68.26 153.37 95.62 Favored Pre-proline 0 N--CA 1.472 0.658 0 O-C-N 121.765 -0.585 . . . . 0.0 112.518 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.51 -35.9 57.5 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.809 3.006 . . . . 0.0 114.696 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.94 -46.66 86.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.68 0.792 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.509 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t -74.04 -39.84 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.36 -17.47 63.75 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.763 1.165 . . . . 0.0 113.221 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -124.11 -35.98 2.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.21 20.17 3.72 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 157.77 7.13 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.973 -1.079 . . . . 0.0 113.899 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -135.86 101.84 4.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.849 1.66 . . . . 0.0 110.451 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.39 177.62 48.64 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.644 1.116 . . . . 0.0 113.905 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.44 -59.57 3.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.878 1.271 . . . . 0.0 113.594 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -23.21 66.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -169.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.95 66.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.078 0.951 . . . . 0.0 112.95 169.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -84.17 -54.44 4.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.849 1.26 . . . . 0.0 109.19 175.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -55.38 -37.5 67.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.39 1.476 . . . . 0.0 112.94 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -52.7 -52.89 54.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.553 1.141 . . . . 0.0 112.723 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.65 -34.21 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.087 0.858 . . . . 0.0 112.629 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -49.68 44.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.702 2.001 . . . . 0.0 113.505 -172.894 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -64.11 -27.03 68.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.867 1.267 . . . . 0.0 114.293 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.08 90.12 3.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.884 1.274 . . . . 0.0 110.957 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -61.98 150.63 37.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 112.743 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 55.1 tpp -74.55 86.95 2.1 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.776 1.23 . . . . 0.0 111.687 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -73.45 176.32 6.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.284 1.433 . . . . 0.0 112.825 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m 58.92 -173.36 0.1 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.357 2.263 . . . . 0.0 114.735 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 m -133.81 164.67 26.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.154 2.182 . . . . 0.0 110.012 -174.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -66.21 136.27 95.24 Favored Pre-proline 0 N--CA 1.474 0.763 0 O-C-N 121.198 -0.939 . . . . 0.0 110.749 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.93 -35.7 53.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.738 2.292 . . . . 0.0 113.401 -169.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -65.29 -41.82 93.74 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.753 -0.592 . . . . 0.0 112.042 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.495 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.45 -33.3 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.49 -18.77 65.18 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.181 1.355 . . . . 0.0 113.067 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -122.52 -38.04 2.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.191 1.397 . . . . 0.0 114.141 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.32 36.97 2.73 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.772 1.629 . . . . 0.0 113.311 -169.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.42 147.6 17.04 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.945 -1.097 . . . . 0.0 113.525 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -142.5 160.83 39.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.753 2.421 . . . . 0.0 110.223 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.81 25.6 64.42 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 45.34 -96.23 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.756 2.422 . . . . 0.0 113.755 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.27 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.469 1.508 . . . . 0.0 113.751 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.55 31.05 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -49.64 -32.73 13.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.661 1.584 . . . . 0.0 114.04 170.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -63.11 -21.43 66.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.081 1.353 . . . . 0.0 113.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -52.72 -52.07 57.74 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.3 1.04 . . . . 0.0 111.985 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -37.43 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -52.49 10.82 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 129.203 3.001 . . . . 0.0 114.227 178.211 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -74.59 46.9 0.29 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.067 2.147 . . . . 0.0 114.324 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -69.86 171.26 9.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.318 1.447 . . . . 0.0 112.335 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -65.27 150.99 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.08 1.352 . . . . 0.0 113.034 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.74 174.45 11.57 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.103 1.361 . . . . 0.0 111.916 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -73.71 70.19 1.36 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.702 1.601 . . . . 0.0 112.574 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -62.11 148.93 42.72 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.176 1.39 . . . . 0.0 112.676 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m 61.74 122.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.832 2.453 . . . . 0.0 113.34 -170.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -67.33 148.15 98.77 Favored Pre-proline 0 N--CA 1.471 0.595 0 O-C-N 121.179 -0.951 . . . . 0.0 111.675 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.52 -30.6 61.45 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.459 2.106 . . . . 0.0 113.343 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.46 -30.7 66.33 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.464 -0.773 . . . . 0.0 112.705 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.487 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.487 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.5 -58.55 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -57.83 -25.62 60.9 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.667 1.122 . . . . 0.0 113.683 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.56 -14.54 10.26 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.166 1.386 . . . . 0.0 113.956 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -151.3 28.95 0.64 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.26 131.78 28.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.092 1.357 . . . . 0.0 113.868 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -137.24 103.39 5.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.635 1.974 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.28 170.32 23.94 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.797 1.665 . . . . 0.0 114.026 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -72.71 -67.37 0.56 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.752 1.221 . . . . 0.0 113.005 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.75 -29.34 64.4 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.527 1.131 . . . . 0.0 113.53 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.22 62.28 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.296 1.439 . . . . 0.0 114.698 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -65.94 -28.39 68.88 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.534 1.134 . . . . 0.0 114.059 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -89.03 -25.76 21.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.135 1.774 . . . . 0.0 112.359 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -37.17 72.13 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.03 -30.29 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.268 0.94 . . . . 0.0 113.012 175.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.07 110.19 0.13 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.253 1.275 0 C-N-CA 130.224 3.41 . . . . 0.0 114.262 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -64.03 157.82 24.2 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.76 -32.09 70.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.273 1.029 . . . . 0.0 113.366 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -66.26 148.14 52.28 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 112.858 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm 52.5 26.96 4.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.422 1.889 . . . . 0.0 115.106 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -59.29 141.75 53.66 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.617 1.167 . . . . 0.0 113.538 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -89.56 3.11 53.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.807 1.643 . . . . 0.0 114.12 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -57.68 116.58 3.51 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.973 2.109 . . . . 0.0 112.373 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 152.25 96.6 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.53 -176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -51.31 -38.21 61.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.583 2.855 . . . . 0.0 114.962 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -74.66 -30.57 61.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.575 -0.703 . . . . 0.0 112.873 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.479 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -65.58 -36.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -72.21 -19.97 61.64 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -123.27 -31.59 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.757 1.223 . . . . 0.0 113.668 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -140.21 53.45 1.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.504 2.322 . . . . 0.0 110.9 -172.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.24 167.33 3.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.674 1.19 . . . . 0.0 113.741 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -123.72 150.68 44.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.429 1.492 . . . . 0.0 111.799 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.44 -174.66 41.79 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.683 1.611 . . . . 0.0 114.277 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 48.9 39.35 14.19 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.689 1.596 . . . . 0.0 113.366 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 64.17 3.13 1.65 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.247 2.619 . . . . 0.0 115.332 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.49 60.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.915 1.286 . . . . 0.0 114.158 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -51.17 -29.21 13.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.824 1.65 . . . . 0.0 114.692 171.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.18 -22.41 65.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.368 1.067 . . . . 0.0 113.167 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.2 p -56.33 -41.53 76.21 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.298 1.039 . . . . 0.0 113.766 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -77.5 -36.78 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.836 0.743 . . . . 0.0 111.83 174.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -48.7 47.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.073 1.749 . . . . 0.0 112.971 -175.8 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -61.12 -27.38 68.34 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -169.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -137.58 7.02 2.77 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.396 1.879 . . . . 0.0 114.139 -172.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 87.64 1.2 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.693 1.597 . . . . 0.0 112.996 -169.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -65.99 155.38 36.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.066 1.347 . . . . 0.0 112.092 172.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 175.72 4.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.096 1.358 . . . . 0.0 113.118 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -124.72 103.61 8.2 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.373 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -64.84 132.08 48.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.557 1.143 . . . . 0.0 110.499 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -68.25 151.4 97.24 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 123.838 0.855 . . . . 0.0 112.429 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.16 -31.62 74.92 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.57 2.18 . . . . 0.0 113.062 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -63.58 -41.14 98.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.051 . . . . 0.0 112.411 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.41 -28.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -79.83 -19.53 48.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.458 1.026 . . . . 0.0 113.759 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -128.4 -32.57 2.19 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -169.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -131.86 20.18 4.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.163 1.785 . . . . 0.0 114.57 -169.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.44 154.71 10.45 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.812 1.245 . . . . 0.0 114.306 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -135.72 101.63 4.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.945 1.698 . . . . 0.0 110.146 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.01 165.45 33.99 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.201 1.381 . . . . 0.0 113.776 -173.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.05 -56.53 6.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.339 1.055 . . . . 0.0 113.306 -173.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -63.27 -27.66 69.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -174.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.62 -31.67 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.248 1.019 . . . . 0.0 113.065 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.42 -54.89 16.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.509 1.124 . . . . 0.0 110.819 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -61.02 -30.28 70.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.529 1.131 . . . . 0.0 113.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.3 m -55.26 -41.38 72.13 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.811 1.244 . . . . 0.0 113.422 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -82.62 -27.73 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 175.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -39.69 20.97 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.368 1.867 . . . . 0.0 112.381 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -72.75 87.99 1.29 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.907 1.283 . . . . 0.0 111.68 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.27 -12.68 61.58 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -132.52 -39.93 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.897 1.279 . . . . 0.0 114.086 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.13 120.69 17.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.602 1.161 . . . . 0.0 111.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -65.62 171.04 4.45 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.548 1.539 . . . . 0.0 113.334 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m -61.62 167.36 3.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.901 1.28 . . . . 0.0 113.295 173.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 m 72.05 155.15 0.15 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 127.615 2.366 . . . . 0.0 113.1 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -68.12 145.12 97.47 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 124.354 1.062 . . . . 0.0 112.818 -174.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -50.93 -43.83 45.17 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.859 3.039 . . . . 0.0 114.43 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -64.23 -43.99 93.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.282 0.633 . . . . 0.0 112.139 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.478 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.478 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t -79.01 -28.05 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -76.59 -22.11 54.66 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.07 1.305 . . . . 0.0 113.274 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -127.88 -31.05 2.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -133.23 27.37 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.876 1.67 . . . . 0.0 113.871 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 117.05 2.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.729 1.612 . . . . 0.0 113.797 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -136.69 147.02 46.56 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.415 1.886 . . . . 0.0 111.007 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.88 164.86 12.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.651 1.596 . . . . 0.0 114.761 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.1 146.43 41.42 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.534 1.133 . . . . 0.0 112.152 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 tptt 58.24 -16.68 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.511 3.124 . . . . 0.0 117.232 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.54 66.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.191 1.796 . . . . 0.0 113.409 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -53.71 -57.03 12.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.217 1.407 . . . . 0.0 111.371 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.91 -32.79 73.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -56.09 -50.83 69.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.148 0.979 . . . . 0.0 112.403 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.72 -39.02 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.226 0.921 . . . . 0.0 111.814 176.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.93 -41.26 24.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.216 0 C-N-CA 127.067 2.147 . . . . 0.0 112.497 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -69.92 172.38 7.86 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.052 0.941 . . . . 0.0 112.528 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.46 132.52 53.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.184 1.393 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.58 161.1 41.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.19 1.396 . . . . 0.0 113.001 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.45 -3.82 10.9 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.602 1.561 . . . . 0.0 113.638 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -77.34 -10.33 59.38 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -66.58 161.64 22.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.314 1.046 . . . . 0.0 113.19 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -73.23 141.89 47.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.36 1.464 . . . . 0.0 111.121 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -70.51 147.03 94.65 Favored Pre-proline 0 CA--C 1.54 0.561 0 O-C-N 121.712 -0.617 . . . . 0.0 112.143 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.73 -30.93 40.86 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.571 2.181 . . . . 0.0 112.559 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -67.39 -34.15 76.67 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.155 0.982 . . . . 0.0 112.367 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -75.09 -31.55 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.96 -19.14 64.93 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.02 1.282 . . . . 0.0 113.089 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -123.13 -39.44 2.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.046 1.338 . . . . 0.0 113.844 -169.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -139.98 45.98 1.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.64 1.976 . . . . 0.0 112.256 -169.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.28 148.35 18.79 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.804 -1.185 . . . . 0.0 113.327 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -147.16 164.02 34.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.479 1.511 . . . . 0.0 112.814 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.27 -179.34 45.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.078 1.323 . . . . 0.0 114.443 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.88 -27.68 24.87 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.848 1.259 . . . . 0.0 113.688 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -141.77 -13.29 0.86 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.21 77.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.424 1.011 . . . . 0.0 113.092 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -58.21 -40.62 82.1 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.847 1.259 . . . . 0.0 113.535 173.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.46 -38.29 74.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.93 1.292 . . . . 0.0 111.438 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 t -55.71 -45.21 77.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.008 0.923 . . . . 0.0 112.773 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -41.5 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.634 1.106 . . . . 0.0 111.775 175.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -56.54 4.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 128.404 2.682 . . . . 0.0 113.831 -172.292 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.714 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.714 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' HB3' HD13 ' A' ' 62' ' ' ILE . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.921 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.69 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.727 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.051 -0.499 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.968 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.757 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE 0.265 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 62' ' ' ILE . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.708 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.8 pp . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.606 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 45' ' ' PHE . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.629 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.488 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.744 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.744 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.83 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.814 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.629 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.672 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.775 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -66.92 -47.78 70.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.777 1.231 . . . . 0.0 112.796 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 38.72 52.23 1.84 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.421 2.688 . . . . 0.0 114.033 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.28 -22.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 129.003 2.921 . . . . 0.0 116.466 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.3 tpt -58.03 -28.96 64.95 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.607 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -64.18 -19.88 65.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 m -135.4 -10.53 2.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 m -132.67 131.95 41.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.264 1.825 . . . . 0.0 110.422 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 p -68.13 156.98 88.64 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.79 -30.53 49.7 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.012 1.808 . . . . 0.0 112.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.67 -45.24 83.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.488 0.715 . . . . 0.0 111.613 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.714 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -62.89 -37.39 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -85.8 -22.07 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -130.39 -21.02 2.92 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -136.25 24.68 3.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.727 1.611 . . . . 0.0 113.871 -169.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 159.93 6.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -145.14 158.27 43.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.214 1.806 . . . . 0.0 110.996 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.45 74.56 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.957 1.265 . . . . 0.0 115.588 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t70 48.86 -89.45 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.782 2.433 . . . . 0.0 113.883 -173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -71.42 -25.09 62.19 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.301 1.44 . . . . 0.0 113.452 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.43 59.32 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -50.9 -25.66 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.259 1.824 . . . . 0.0 114.414 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -21.36 49.9 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.655 1.582 . . . . 0.0 113.688 172.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -52.34 -48.75 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 112.421 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.714 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -74.05 -30.95 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.314 -0.866 . . . . 0.0 112.441 178.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -38.54 107.2 0.06 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.868 2.467 . . . . 0.0 113.649 -176.411 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -60.0 -20.66 58.96 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.68 -21.36 39.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.006 1.722 . . . . 0.0 114.223 171.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -72.68 -8.77 56.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.995 1.318 . . . . 0.0 113.379 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 0.0 OUTLIER 49.12 -9.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 1 C-N-CA 131.965 4.106 . . . . 0.0 119.218 -178.943 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -63.09 -32.21 73.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.35 1.46 . . . . 0.0 113.605 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m 60.93 -2.34 0.2 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.53 2.732 . . . . 0.0 116.608 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 m -70.42 130.72 42.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.233 1.413 . . . . 0.0 111.004 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -68.27 158.05 85.66 Favored Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 121.731 -0.605 . . . . 0.0 112.372 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -64.3 -34.86 53.93 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.923 1.749 . . . . 0.0 112.279 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -66.45 -42.24 87.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.77 0.828 . . . . 0.0 111.944 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' HB3' HD13 ' A' ' 62' ' ' ILE . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.67 -42.12 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -67.74 -17.6 64.61 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.241 -0.912 . . . . 0.0 113.418 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -124.05 -31.97 3.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.094 1.358 . . . . 0.0 114.078 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -136.63 27.73 3.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.661 1.585 . . . . 0.0 114.246 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.71 2.83 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -142.07 154.77 45.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.154 1.782 . . . . 0.0 110.774 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.18 179.73 37.74 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.991 1.281 . . . . 0.0 114.548 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.48 -49.96 24.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.251 1.021 . . . . 0.0 112.662 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -132.52 -10.82 3.18 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -30.24 59.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.632 1.173 . . . . 0.0 114.121 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -48.28 -27.77 2.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.743 2.417 . . . . 0.0 115.201 169.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.08 -23.03 53.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.916 1.687 . . . . 0.0 113.528 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -51.89 -46.9 64.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.698 1.599 . . . . 0.0 114.021 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -82.33 -26.77 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 O-C-N 121.396 -0.815 . . . . 0.0 112.987 -177.287 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.0 -48.64 52.31 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.682 2.793 . . . . 0.0 113.618 -177.905 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -67.12 -3.08 6.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.183 1.793 . . . . 0.0 115.217 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.41 -33.01 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.765 2.426 . . . . 0.0 113.688 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -61.34 -16.03 41.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.051 1.74 . . . . 0.0 114.826 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.01 -16.91 61.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.349 1.06 . . . . 0.0 113.41 172.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 62.36 -33.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.472 3.109 . . . . 0.0 116.8 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -75.98 -4.78 43.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.981 1.712 . . . . 0.0 114.353 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -61.79 131.24 49.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.882 1.673 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -68.46 145.52 97.28 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 118.97 -0.538 . . . . 0.0 112.371 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.21 -43.16 50.44 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.722 2.948 . . . . 0.0 114.24 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -63.28 -37.96 89.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.424 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -73.14 -29.32 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -76.23 -17.97 59.25 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.769 1.168 . . . . 0.0 113.388 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -122.65 -27.47 4.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.115 1.366 . . . . 0.0 114.02 -170.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -136.4 -147.91 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.019 2.527 . . . . 0.0 110.861 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 66.25 178.81 0.21 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.583 2.353 . . . . 0.0 114.718 -173.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.46 161.14 42.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.654 1.982 . . . . 0.0 111.865 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.08 -148.45 47.73 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.918 -0.489 . . . . 0.0 112.886 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -125.17 -65.47 1.02 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.348 172.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.14 -36.59 63.46 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.46 62.27 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.854 1.261 . . . . 0.0 114.247 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -86.03 -37.93 18.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.801 1.64 . . . . 0.0 111.506 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -57.47 -31.86 66.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.668 0.787 . . . . 0.0 112.403 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -50.45 -43.48 55.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.526 1.53 . . . . 0.0 113.647 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -82.01 -38.51 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.954 0.797 . . . . 0.0 111.921 173.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -44.73 52.78 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.254 1.309 0 C-N-CA 128.249 2.619 . . . . 0.0 113.065 -172.906 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -70.9 -15.3 62.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.847 1.259 . . . . 0.0 114.295 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -70.23 73.41 0.48 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.722 2.809 . . . . 0.0 113.706 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -82.37 2.57 31.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.704 1.601 . . . . 0.0 114.191 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.6 ttm 66.76 -37.47 0.3 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.032 2.933 . . . . 0.0 114.559 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -72.43 -3.64 25.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.818 1.647 . . . . 0.0 113.693 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.36 153.42 12.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.114 2.165 . . . . 0.0 113.705 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m -133.03 147.14 52.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.726 1.61 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -68.96 146.68 97.51 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 -45.48 36.53 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.449 2.766 . . . . 0.0 113.778 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -74.26 -25.06 59.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.871 0.868 . . . . 0.0 113.142 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.34 -57.06 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -70.56 -23.78 62.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -124.57 -20.62 5.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -136.27 9.95 3.23 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -169.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 156.95 14.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -137.35 153.41 50.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.695 1.998 . . . . 0.0 109.894 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.61 21.26 66.84 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t70 39.87 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.801 2.84 . . . . 0.0 114.828 -171.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.25 -19.47 5.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.36 2.264 . . . . 0.0 115.024 -171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.72 12.3 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.335 1.454 . . . . 0.0 113.996 171.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -51.91 -25.2 7.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.555 1.942 . . . . 0.0 115.541 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.27 -27.02 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.163 1.385 . . . . 0.0 112.846 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.6 p -53.61 -46.02 70.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.574 1.55 . . . . 0.0 113.914 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.69 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.67 -28.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 174.316 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -47.68 45.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.922 1.689 . . . . 0.0 112.617 -179.194 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -143.04 -11.15 0.76 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.308 1.443 . . . . 0.0 114.707 -175.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -151.02 168.1 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.541 1.064 . . . . 0.0 112.321 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.8 168.21 20.49 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.912 1.285 . . . . 0.0 111.595 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtm 55.41 -73.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.473 2.709 . . . . 0.0 115.191 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -70.26 -6.38 34.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.831 2.052 . . . . 0.0 114.267 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m 67.37 -28.31 0.14 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.292 3.037 . . . . 0.0 115.779 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -142.13 162.52 35.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.404 2.282 . . . . 0.0 108.825 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -67.94 138.14 92.58 Favored Pre-proline 0 N--CA 1.472 0.66 0 O-C-N 121.114 -0.991 . . . . 0.0 111.778 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.36 -44.27 44.38 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 124.01 3.14 . . . . 0.0 114.5 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.59 -41.69 98.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.485 0.714 . . . . 0.0 112.085 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.727 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.52 -16.0 63.24 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.94 -26.59 2.15 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.963 1.305 . . . . 0.0 113.664 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -141.49 38.12 1.69 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.408 1.883 . . . . 0.0 112.807 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.64 145.8 6.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.557 1.143 . . . . 0.0 113.952 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -125.11 157.42 36.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.105 1.362 . . . . 0.0 112.564 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.58 -175.21 7.56 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 126.164 1.84 . . . . 0.0 115.019 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -71.81 -46.77 57.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.357 1.063 . . . . 0.0 111.22 169.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -132.68 -10.85 3.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 0.0 114.339 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.15 54.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.06 1.344 . . . . 0.0 114.081 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -45.42 -36.19 4.18 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.326 2.25 . . . . 0.0 114.942 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -68.7 -23.75 64.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.558 1.143 . . . . 0.0 113.222 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.9 t -58.95 -49.37 78.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.8 0.84 . . . . 0.0 111.789 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -65.25 -42.25 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.544 0.611 . . . . 0.0 110.811 175.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -34.93 105.86 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.653 2.381 . . . . 0.0 113.643 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -73.49 -11.03 60.32 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.15 174.91 10.08 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.469 1.907 . . . . 0.0 111.065 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -119.97 -9.76 9.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.194 1.798 . . . . 0.0 114.492 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.76 124.41 21.88 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.284 1.033 . . . . 0.0 111.427 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -135.71 83.23 2.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.234 1.414 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 p -73.61 -36.29 65.47 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 113.565 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -139.94 139.71 36.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.968 2.107 . . . . 0.0 109.583 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 156.27 89.78 Favored Pre-proline 0 N--CA 1.473 0.712 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.06 -30.92 55.95 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.919 1.746 . . . . 0.0 112.102 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -66.28 -44.25 84.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.064 0.945 . . . . 0.0 112.449 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.98 -35.73 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -75.01 -21.36 59.15 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -126.08 -28.21 3.18 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -169.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.56 25.5 4.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 -169.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.82 148.93 47.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.136 0.974 . . . . 0.0 112.338 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.74 157.03 44.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.496 1.518 . . . . 0.0 111.659 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.34 153.04 4.59 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.856 1.217 . . . . 0.0 111.909 -169.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.69 -50.34 58.13 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.224 -1.163 . . . . 0.0 112.61 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -65.88 -30.47 71.08 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.84 -42.4 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.218 1.007 . . . . 0.0 111.886 170.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -73.29 -50.09 24.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.862 1.665 . . . . 0.0 111.187 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -54.61 -37.2 65.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.808 1.243 . . . . 0.0 112.72 -175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 t -55.62 -52.3 64.28 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.865 1.266 . . . . 0.0 112.793 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -71.95 -35.13 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.238 0.926 . . . . 0.0 111.968 176.246 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -50.4 26.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.833 1.653 . . . . 0.0 112.721 -173.009 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -67.57 157.99 33.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.576 1.151 . . . . 0.0 113.118 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.07 -3.82 38.04 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.823 1.649 . . . . 0.0 113.342 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.74 70.92 0.49 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.547 1.939 . . . . 0.0 112.179 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.4 mmt -79.55 -9.77 59.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.726 1.611 . . . . 0.0 114.619 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -66.22 166.26 12.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.159 1.384 . . . . 0.0 113.46 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -124.52 176.43 6.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.948 1.699 . . . . 0.0 113.587 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -112.08 116.19 30.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.687 1.595 . . . . 0.0 110.328 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.6 m -69.92 154.3 94.78 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.73 -38.9 67.51 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.68 2.92 . . . . 0.0 114.598 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -63.38 -37.72 88.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 112.326 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.757 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -37.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -78.73 -21.04 48.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -129.51 -24.94 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -146.56 32.8 0.96 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.753 1.221 . . . . 0.0 113.605 -169.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.22 167.81 4.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.913 1.285 . . . . 0.0 114.224 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -132.96 157.67 44.58 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.927 1.691 . . . . 0.0 111.47 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.98 177.99 9.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.627 1.584 . . . . 0.0 115.137 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.53 -83.69 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.404 1.082 . . . . 0.0 110.705 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -73.85 -25.76 60.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.819 1.248 . . . . 0.0 113.665 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -36.1 53.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.434 1.494 . . . . 0.0 114.823 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -56.27 -24.22 41.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.689 1.596 . . . . 0.0 115.25 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -60.87 -19.8 60.8 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.048 1.339 . . . . 0.0 113.125 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -55.06 -41.33 71.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.138 1.375 . . . . 0.0 113.593 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -81.03 -33.84 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.037 0.835 . . . . 0.0 112.029 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.77 104.89 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.682 1.993 . . . . 0.0 113.713 179.175 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -64.83 -16.12 62.7 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.57 -26.91 62.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.301 1.44 . . . . 0.0 114.014 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.44 -17.73 64.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.075 1.35 . . . . 0.0 113.973 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptm 48.2 -1.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 131.159 3.784 . . . . 0.0 119.031 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -73.95 -13.71 60.93 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.732 1.613 . . . . 0.0 114.4 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 m -66.59 -33.98 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 114.351 -175.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -83.48 148.03 27.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.065 1.346 . . . . 0.0 110.899 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -68.19 141.45 93.93 Favored Pre-proline 0 N--CA 1.471 0.61 0 O-C-N 121.387 -0.82 . . . . 0.0 112.284 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.7 -44.1 46.69 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.883 3.055 . . . . 0.0 114.254 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.37 -41.08 96.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.607 0.763 . . . . 0.0 112.174 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.83 -36.92 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -60.98 -23.21 65.2 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.204 1.365 . . . . 0.0 112.675 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -116.01 -28.83 6.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.274 1.429 . . . . 0.0 113.673 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -133.18 21.26 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -169.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.16 109.11 0.23 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.797 1.239 . . . . 0.0 113.519 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -80.13 101.4 8.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.305 1.042 . . . . 0.0 110.447 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.89 173.32 40.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.514 1.054 . . . . 0.0 113.911 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.4 -63.86 0.97 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.795 1.238 . . . . 0.0 113.936 -170.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -72.07 -25.75 61.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -170.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.37 51.15 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.429 1.492 . . . . 0.0 114.712 -171.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -57.46 -31.42 65.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.032 1.333 . . . . 0.0 114.231 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -64.62 -26.29 68.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.036 0.934 . . . . 0.0 112.93 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 m -60.11 -41.98 93.74 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 113.399 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE 0.265 0.5 OUTLIER -82.97 -30.87 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.499 1.045 . . . . 0.0 113.671 170.099 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.91 -32.8 73.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.106 2.162 . . . . 0.0 113.283 -173.898 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -147.28 171.77 14.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.825 1.65 . . . . 0.0 112.497 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -131.9 169.54 16.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.783 2.033 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -56.37 -34.32 66.56 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.644 -1.285 . . . . 0.0 112.277 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.0 tpt -62.25 -34.01 75.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.335 1.454 . . . . 0.0 113.26 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -70.73 -35.7 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.53 1.132 . . . . 0.0 113.82 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 m -139.19 89.74 2.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.417 1.087 . . . . 0.0 113.323 -169.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -64.41 127.46 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.187 0.995 . . . . 0.0 110.127 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -67.78 148.63 98.48 Favored Pre-proline 0 N--CA 1.473 0.683 0 O-C-N 121.478 -0.764 . . . . 0.0 112.166 -175.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.71 -41.89 59.56 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.465 2.776 . . . . 0.0 113.991 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.73 -39.15 93.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.126 0.571 . . . . 0.0 112.129 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 62' ' ' ILE . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -65.3 -37.27 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -84.11 -24.8 30.14 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.5 -18.42 5.72 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -170.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -131.93 19.38 4.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.59 1.556 . . . . 0.0 114.183 -172.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.7 150.37 12.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.948 1.299 . . . . 0.0 113.979 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -147.34 101.68 3.4 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.931 1.292 . . . . 0.0 110.379 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.07 169.09 41.09 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.836 1.208 . . . . 0.0 113.194 -170.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.36 -70.07 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 112.918 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.18 -23.83 66.84 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.359 1.063 . . . . 0.0 113.824 -173.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.31 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.874 1.27 . . . . 0.0 113.45 172.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -67.06 -50.17 62.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.671 1.188 . . . . 0.0 111.719 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -56.74 -25.55 55.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.576 1.551 . . . . 0.0 113.466 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -52.54 -51.05 61.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.378 1.471 . . . . 0.0 113.123 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.708 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -77.96 -29.85 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 118.922 0.783 . . . . 0.0 112.552 177.175 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.97 -35.35 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.394 1.878 . . . . 0.0 112.221 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -74.96 -11.64 60.16 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.049 1.34 . . . . 0.0 114.346 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.63 153.9 26.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.41 1.484 . . . . 0.0 113.184 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -150.46 -30.46 0.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.7 tpt -53.96 117.69 3.41 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.951 1.3 . . . . 0.0 111.553 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m 62.79 -24.39 0.06 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.247 2.619 . . . . 0.0 115.968 -170.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.0 m -67.72 -36.23 80.22 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.794 1.637 . . . . 0.0 113.583 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -145.6 129.2 17.07 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.402 1.481 . . . . 0.0 111.291 -169.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.59 147.54 98.04 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.9 -42.69 62.12 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.383 2.722 . . . . 0.0 114.08 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -66.89 -30.65 70.87 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.477 0.711 . . . . 0.0 112.898 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.95 -17.06 64.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.965 -1.085 . . . . 0.0 113.335 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -121.73 -36.25 3.07 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.04 15.24 3.88 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -169.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 163.27 7.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -144.11 160.35 41.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.23 . . . . 0.0 110.091 169.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 -164.3 38.33 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.651 0.643 . . . . 0.0 113.558 -173.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.5 -76.94 0.58 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.674 1.189 . . . . 0.0 112.126 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -18.51 65.41 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.49 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.366 1.066 . . . . 0.0 113.275 170.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.26 -55.19 11.25 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 170.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -56.25 -30.62 62.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.653 1.581 . . . . 0.0 113.405 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -51.93 -41.26 61.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.836 1.254 . . . . 0.0 113.712 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -82.6 -33.74 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.567 1.076 . . . . 0.0 112.948 172.403 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -52.01 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 mttm . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.285 1.834 . . . . 0.0 113.03 -175.289 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -143.82 175.84 9.7 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.904 1.681 . . . . 0.0 112.401 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -140.88 159.95 41.11 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.952 1.701 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -19.53 60.29 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.74 31.08 0.13 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.255 1.822 . . . . 0.0 113.087 170.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -58.58 -15.37 11.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.479 1.912 . . . . 0.0 115.728 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.9 m -62.45 -28.76 70.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.804 1.242 . . . . 0.0 113.212 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -73.56 122.12 21.72 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.556 1.143 . . . . 0.0 109.754 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -69.0 153.71 95.83 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 122.943 0.497 . . . . 0.0 112.065 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.22 -35.76 61.39 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.237 1.958 . . . . 0.0 112.099 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -63.47 -35.41 80.34 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.722 0.809 . . . . 0.0 112.538 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.26 -57.32 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -61.4 -18.97 61.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -169.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -123.63 -29.13 3.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.132 1.373 . . . . 0.0 114.018 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -137.84 21.06 2.86 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 152.07 9.03 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.73 -1.231 . . . . 0.0 113.528 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -135.93 102.0 4.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.829 1.652 . . . . 0.0 110.801 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.16 174.7 23.51 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.621 1.581 . . . . 0.0 114.059 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.98 -70.31 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.429 1.092 . . . . 0.0 112.765 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -68.44 -21.63 64.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.921 1.288 . . . . 0.0 114.139 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.32 -43.3 64.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.223 1.409 . . . . 0.0 113.827 -171.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.39 -31.64 66.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -84.38 -13.12 53.15 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.66 1.184 . . . . 0.0 113.49 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -60.17 -57.25 13.6 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.163 -0.961 . . . . 0.0 113.053 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.8 pp -72.16 -18.96 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -31.64 42.27 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mttp . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.799 1.639 . . . . 0.0 113.626 178.349 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -63.74 157.5 24.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.707 1.203 . . . . 0.0 112.846 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.35 -19.17 34.09 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -67.92 95.82 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 -171.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.6 mtp 58.8 15.07 3.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.06 2.144 . . . . 0.0 115.461 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -62.45 98.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.657 1.983 . . . . 0.0 112.654 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 m 62.84 -57.29 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 128.813 2.845 . . . . 0.0 114.732 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.9 m -66.18 128.59 36.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.773 1.629 . . . . 0.0 110.617 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -68.21 148.88 98.28 Favored Pre-proline 0 N--CA 1.47 0.545 0 C-N-CA 123.798 0.839 . . . . 0.0 111.716 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.96 -29.23 75.64 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 122.438 2.092 . . . . 0.0 113.373 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.55 -43.3 99.15 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 112.251 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.606 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.46 -34.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -68.25 -21.51 64.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.102 1.319 . . . . 0.0 113.09 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -123.46 -29.16 3.82 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -130.56 22.45 5.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.416 1.486 . . . . 0.0 114.276 -169.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.55 154.73 8.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.33 1.052 . . . . 0.0 113.735 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -146.22 131.4 18.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.613 1.565 . . . . 0.0 110.555 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.29 169.6 32.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.252 1.406 . . . . 0.0 114.524 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.48 152.15 42.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.31 1.044 . . . . 0.0 112.246 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 57.91 -21.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.016 3.326 . . . . 0.0 117.704 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 -21.33 25.34 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.091 2.156 . . . . 0.0 115.515 -172.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -54.86 -40.22 69.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 112.441 171.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -59.82 -26.02 65.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.277 1.431 . . . . 0.0 113.436 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 m -56.95 -43.92 82.05 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.447 1.499 . . . . 0.0 113.796 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -82.72 -32.51 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.184 0.902 . . . . 0.0 112.883 171.08 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -42.47 60.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.812 2.045 . . . . 0.0 113.23 -178.045 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -74.51 -16.4 60.84 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.75 -19.75 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.958 2.903 . . . . 0.0 116.165 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -74.4 -5.7 43.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.296 1.838 . . . . 0.0 114.865 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.1 112.85 1.66 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.278 1.431 . . . . 0.0 112.357 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -72.54 174.84 6.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.102 1.361 . . . . 0.0 113.25 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.29 169.25 7.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.549 1.939 . . . . 0.0 113.713 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -137.18 148.48 46.61 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.613 1.965 . . . . 0.0 109.679 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -68.54 149.01 98.13 Favored Pre-proline 0 N--CA 1.475 0.825 0 CA-C-N 119.104 0.865 . . . . 0.0 112.612 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.4 -40.04 72.1 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.353 2.702 . . . . 0.0 114.195 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -66.1 -47.22 74.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.901 0.88 . . . . 0.0 112.06 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 45' ' ' PHE . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.38 -37.63 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.78 -16.79 62.11 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.129 1.331 . . . . 0.0 113.095 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -119.85 -33.67 3.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 113.623 -171.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -132.05 24.01 4.56 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 107.97 0.26 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.619 1.168 . . . . 0.0 113.194 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -78.69 101.87 7.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.564 1.146 . . . . 0.0 111.126 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.35 170.44 45.14 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.361 1.458 . . . . 0.0 114.421 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -69.18 154.67 41.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.378 1.071 . . . . 0.0 112.65 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 57.21 -21.17 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.284 3.434 . . . . 0.0 117.433 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.51 39.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.539 1.936 . . . . 0.0 114.359 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -52.62 -30.57 32.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.114 1.766 . . . . 0.0 114.814 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -22.12 66.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 112.448 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -53.37 -47.29 69.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.846 1.259 . . . . 0.0 113.398 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -82.93 -26.97 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 170.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -53.24 6.0 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 129.232 3.013 . . . . 0.0 114.499 -175.399 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -68.49 163.12 24.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.348 1.059 . . . . 0.0 112.864 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.66 0.45 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.009 2.123 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -62.87 136.65 57.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.3 mtt -69.82 164.1 24.38 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.409 1.084 . . . . 0.0 112.581 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -72.31 162.26 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.369 1.068 . . . . 0.0 112.7 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 m -74.56 -24.58 58.95 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 m -72.22 110.36 6.61 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.209 1.004 . . . . 0.0 112.087 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -68.26 153.37 95.62 Favored Pre-proline 0 N--CA 1.472 0.658 0 O-C-N 121.765 -0.585 . . . . 0.0 112.518 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.51 -35.9 57.5 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.809 3.006 . . . . 0.0 114.696 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.94 -46.66 86.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.68 0.792 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t -74.04 -39.84 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.36 -17.47 63.75 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.763 1.165 . . . . 0.0 113.221 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -124.11 -35.98 2.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.21 20.17 3.72 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 157.77 7.13 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.973 -1.079 . . . . 0.0 113.899 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -135.86 101.84 4.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.849 1.66 . . . . 0.0 110.451 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.39 177.62 48.64 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.644 1.116 . . . . 0.0 113.905 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.44 -59.57 3.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.878 1.271 . . . . 0.0 113.594 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -23.21 66.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -169.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.95 66.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.078 0.951 . . . . 0.0 112.95 169.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -84.17 -54.44 4.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.849 1.26 . . . . 0.0 109.19 175.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -55.38 -37.5 67.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.39 1.476 . . . . 0.0 112.94 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -52.7 -52.89 54.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.553 1.141 . . . . 0.0 112.723 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -76.65 -34.21 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.087 0.858 . . . . 0.0 112.629 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -49.68 44.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.702 2.001 . . . . 0.0 113.505 -172.894 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -64.11 -27.03 68.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.867 1.267 . . . . 0.0 114.293 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.08 90.12 3.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.884 1.274 . . . . 0.0 110.957 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -61.98 150.63 37.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 112.743 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 55.1 tpp -74.55 86.95 2.1 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.776 1.23 . . . . 0.0 111.687 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -73.45 176.32 6.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.284 1.433 . . . . 0.0 112.825 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m 58.92 -173.36 0.1 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.357 2.263 . . . . 0.0 114.735 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 m -133.81 164.67 26.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.154 2.182 . . . . 0.0 110.012 -174.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -66.21 136.27 95.24 Favored Pre-proline 0 N--CA 1.474 0.763 0 O-C-N 121.198 -0.939 . . . . 0.0 110.749 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.93 -35.7 53.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.738 2.292 . . . . 0.0 113.401 -169.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -65.29 -41.82 93.74 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.753 -0.592 . . . . 0.0 112.042 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.45 -33.3 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.49 -18.77 65.18 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.181 1.355 . . . . 0.0 113.067 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -122.52 -38.04 2.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.191 1.397 . . . . 0.0 114.141 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.32 36.97 2.73 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.772 1.629 . . . . 0.0 113.311 -169.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.42 147.6 17.04 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.945 -1.097 . . . . 0.0 113.525 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -142.5 160.83 39.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.753 2.421 . . . . 0.0 110.223 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.81 25.6 64.42 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 45.34 -96.23 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.756 2.422 . . . . 0.0 113.755 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.27 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.469 1.508 . . . . 0.0 113.751 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.55 31.05 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -49.64 -32.73 13.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.661 1.584 . . . . 0.0 114.04 170.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -63.11 -21.43 66.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.081 1.353 . . . . 0.0 113.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -52.72 -52.07 57.74 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.3 1.04 . . . . 0.0 111.985 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -73.57 -37.43 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -52.49 10.82 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 129.203 3.001 . . . . 0.0 114.227 178.211 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -74.59 46.9 0.29 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.067 2.147 . . . . 0.0 114.324 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -69.86 171.26 9.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.318 1.447 . . . . 0.0 112.335 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -65.27 150.99 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.08 1.352 . . . . 0.0 113.034 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.74 174.45 11.57 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.103 1.361 . . . . 0.0 111.916 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -73.71 70.19 1.36 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.702 1.601 . . . . 0.0 112.574 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -62.11 148.93 42.72 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.176 1.39 . . . . 0.0 112.676 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m 61.74 122.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.832 2.453 . . . . 0.0 113.34 -170.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -67.33 148.15 98.77 Favored Pre-proline 0 N--CA 1.471 0.595 0 O-C-N 121.179 -0.951 . . . . 0.0 111.675 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.52 -30.6 61.45 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.459 2.106 . . . . 0.0 113.343 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.46 -30.7 66.33 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.464 -0.773 . . . . 0.0 112.705 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HE3' ' HA ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.5 -58.55 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -57.83 -25.62 60.9 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.667 1.122 . . . . 0.0 113.683 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.56 -14.54 10.26 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.166 1.386 . . . . 0.0 113.956 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -151.3 28.95 0.64 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.26 131.78 28.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.092 1.357 . . . . 0.0 113.868 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -137.24 103.39 5.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.635 1.974 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.28 170.32 23.94 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.797 1.665 . . . . 0.0 114.026 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -72.71 -67.37 0.56 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.752 1.221 . . . . 0.0 113.005 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.75 -29.34 64.4 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.527 1.131 . . . . 0.0 113.53 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.22 62.28 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.296 1.439 . . . . 0.0 114.698 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -65.94 -28.39 68.88 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.534 1.134 . . . . 0.0 114.059 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -89.03 -25.76 21.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.135 1.774 . . . . 0.0 112.359 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -37.17 72.13 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -83.03 -30.29 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.268 0.94 . . . . 0.0 113.012 175.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.07 110.19 0.13 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.253 1.275 0 C-N-CA 130.224 3.41 . . . . 0.0 114.262 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -64.03 157.82 24.2 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.76 -32.09 70.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.273 1.029 . . . . 0.0 113.366 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -66.26 148.14 52.28 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 112.858 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm 52.5 26.96 4.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.422 1.889 . . . . 0.0 115.106 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -59.29 141.75 53.66 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.617 1.167 . . . . 0.0 113.538 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -89.56 3.11 53.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.807 1.643 . . . . 0.0 114.12 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -57.68 116.58 3.51 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.973 2.109 . . . . 0.0 112.373 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 152.25 96.6 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.53 -176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -51.31 -38.21 61.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.583 2.855 . . . . 0.0 114.962 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -74.66 -30.57 61.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.575 -0.703 . . . . 0.0 112.873 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.488 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.744 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -65.58 -36.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -72.21 -19.97 61.64 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -123.27 -31.59 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.757 1.223 . . . . 0.0 113.668 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -140.21 53.45 1.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.504 2.322 . . . . 0.0 110.9 -172.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.24 167.33 3.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.674 1.19 . . . . 0.0 113.741 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -123.72 150.68 44.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.429 1.492 . . . . 0.0 111.799 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.44 -174.66 41.79 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.683 1.611 . . . . 0.0 114.277 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 48.9 39.35 14.19 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.689 1.596 . . . . 0.0 113.366 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 64.17 3.13 1.65 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.247 2.619 . . . . 0.0 115.332 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.49 60.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.915 1.286 . . . . 0.0 114.158 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -51.17 -29.21 13.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.824 1.65 . . . . 0.0 114.692 171.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.18 -22.41 65.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.368 1.067 . . . . 0.0 113.167 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.2 p -56.33 -41.53 76.21 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.298 1.039 . . . . 0.0 113.766 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.744 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -77.5 -36.78 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.836 0.743 . . . . 0.0 111.83 174.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -48.7 47.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.073 1.749 . . . . 0.0 112.971 -175.8 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -61.12 -27.38 68.34 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -169.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -137.58 7.02 2.77 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.396 1.879 . . . . 0.0 114.139 -172.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 87.64 1.2 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.693 1.597 . . . . 0.0 112.996 -169.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -65.99 155.38 36.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.066 1.347 . . . . 0.0 112.092 172.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 175.72 4.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.096 1.358 . . . . 0.0 113.118 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -124.72 103.61 8.2 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.373 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -64.84 132.08 48.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.557 1.143 . . . . 0.0 110.499 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -68.25 151.4 97.24 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 123.838 0.855 . . . . 0.0 112.429 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.16 -31.62 74.92 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.57 2.18 . . . . 0.0 113.062 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -63.58 -41.14 98.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.051 . . . . 0.0 112.411 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.41 -28.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -79.83 -19.53 48.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.458 1.026 . . . . 0.0 113.759 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -128.4 -32.57 2.19 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -169.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -131.86 20.18 4.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.163 1.785 . . . . 0.0 114.57 -169.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.44 154.71 10.45 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.812 1.245 . . . . 0.0 114.306 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -135.72 101.63 4.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.945 1.698 . . . . 0.0 110.146 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.01 165.45 33.99 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.201 1.381 . . . . 0.0 113.776 -173.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.05 -56.53 6.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.339 1.055 . . . . 0.0 113.306 -173.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -63.27 -27.66 69.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -174.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.62 -31.67 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.248 1.019 . . . . 0.0 113.065 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.42 -54.89 16.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.509 1.124 . . . . 0.0 110.819 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -61.02 -30.28 70.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.529 1.131 . . . . 0.0 113.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.3 m -55.26 -41.38 72.13 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.811 1.244 . . . . 0.0 113.422 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.62 -27.73 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 175.06 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -39.69 20.97 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.368 1.867 . . . . 0.0 112.381 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -72.75 87.99 1.29 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.907 1.283 . . . . 0.0 111.68 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.27 -12.68 61.58 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -132.52 -39.93 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.897 1.279 . . . . 0.0 114.086 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.13 120.69 17.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.602 1.161 . . . . 0.0 111.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -65.62 171.04 4.45 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.548 1.539 . . . . 0.0 113.334 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m -61.62 167.36 3.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.901 1.28 . . . . 0.0 113.295 173.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 m 72.05 155.15 0.15 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 127.615 2.366 . . . . 0.0 113.1 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -68.12 145.12 97.47 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 124.354 1.062 . . . . 0.0 112.818 -174.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -50.93 -43.83 45.17 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.859 3.039 . . . . 0.0 114.43 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -64.23 -43.99 93.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.282 0.633 . . . . 0.0 112.139 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t -79.01 -28.05 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -76.59 -22.11 54.66 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.07 1.305 . . . . 0.0 113.274 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -127.88 -31.05 2.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -133.23 27.37 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.876 1.67 . . . . 0.0 113.871 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 117.05 2.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.729 1.612 . . . . 0.0 113.797 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -136.69 147.02 46.56 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.415 1.886 . . . . 0.0 111.007 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.88 164.86 12.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.651 1.596 . . . . 0.0 114.761 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.1 146.43 41.42 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.534 1.133 . . . . 0.0 112.152 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 tptt 58.24 -16.68 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.511 3.124 . . . . 0.0 117.232 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.54 66.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.191 1.796 . . . . 0.0 113.409 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -53.71 -57.03 12.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.217 1.407 . . . . 0.0 111.371 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.91 -32.79 73.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -56.09 -50.83 69.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.148 0.979 . . . . 0.0 112.403 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -67.72 -39.02 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.226 0.921 . . . . 0.0 111.814 176.258 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.93 -41.26 24.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.216 0 C-N-CA 127.067 2.147 . . . . 0.0 112.497 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -69.92 172.38 7.86 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.052 0.941 . . . . 0.0 112.528 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.46 132.52 53.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.184 1.393 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.58 161.1 41.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.19 1.396 . . . . 0.0 113.001 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.45 -3.82 10.9 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.602 1.561 . . . . 0.0 113.638 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -77.34 -10.33 59.38 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -66.58 161.64 22.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.314 1.046 . . . . 0.0 113.19 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -73.23 141.89 47.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.36 1.464 . . . . 0.0 111.121 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -70.51 147.03 94.65 Favored Pre-proline 0 CA--C 1.54 0.561 0 O-C-N 121.712 -0.617 . . . . 0.0 112.143 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.73 -30.93 40.86 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.571 2.181 . . . . 0.0 112.559 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -67.39 -34.15 76.67 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.155 0.982 . . . . 0.0 112.367 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.629 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.672 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -75.09 -31.55 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.96 -19.14 64.93 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.02 1.282 . . . . 0.0 113.089 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -123.13 -39.44 2.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.046 1.338 . . . . 0.0 113.844 -169.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -139.98 45.98 1.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.64 1.976 . . . . 0.0 112.256 -169.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.28 148.35 18.79 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.804 -1.185 . . . . 0.0 113.327 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -147.16 164.02 34.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.479 1.511 . . . . 0.0 112.814 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.27 -179.34 45.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.078 1.323 . . . . 0.0 114.443 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.88 -27.68 24.87 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.848 1.259 . . . . 0.0 113.688 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -141.77 -13.29 0.86 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.21 77.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.424 1.011 . . . . 0.0 113.092 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -58.21 -40.62 82.1 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.847 1.259 . . . . 0.0 113.535 173.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.46 -38.29 74.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.93 1.292 . . . . 0.0 111.438 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 t -55.71 -45.21 77.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.008 0.923 . . . . 0.0 112.773 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -64.27 -41.5 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.634 1.106 . . . . 0.0 111.775 175.138 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -56.54 4.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 128.404 2.682 . . . . 0.0 113.831 -172.292 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 CA--C 1.537 0.46 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.714 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.714 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 . . . . . 0 CA--C 1.538 0.508 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.624 ' HB3' HD13 ' A' ' 62' ' ' ILE . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.921 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 . . . . . 0 CA--C 1.541 0.623 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.69 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 CA--C 1.538 0.496 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.727 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 119.051 -0.499 . . . . 0.0 110.811 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.968 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.757 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.48 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE 0.265 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 62' ' ' ILE . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.708 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 . . . . . 0 CA--C 1.54 0.567 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.8 pp . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 CA--C 1.541 0.618 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.606 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 112.883 0.697 . . . . 0.0 112.883 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 45' ' ' PHE . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 . . . . . 0 CA--C 1.539 0.53 0 N-CA-C 111.402 0.149 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 118.661 -0.685 . . . . 0.0 112.629 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 . . . . . 0 CA--C 1.546 0.802 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t . . . . . 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.476 0.83 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 . . . . . 0 CA--C 1.545 0.757 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.488 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.744 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.744 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.711 0 CA-C-O 119.247 -0.406 . . . . 0.0 111.83 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 . . . . . 0 CA--C 1.538 0.514 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.677 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.814 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t30 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.629 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.629 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.672 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.775 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.456 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 p -66.92 -47.78 70.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.777 1.231 . . . . 0.0 112.796 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 38.72 52.23 1.84 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 128.421 2.688 . . . . 0.0 114.033 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.5 m80 61.28 -22.44 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 129.003 2.921 . . . . 0.0 116.466 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 14.3 tpt -58.03 -28.96 64.95 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.607 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.4 m -64.18 -19.88 65.63 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 42.0 m -135.4 -10.53 2.18 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -171.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.8 m -132.67 131.95 41.88 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.264 1.825 . . . . 0.0 110.422 -173.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 p -68.13 156.98 88.64 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -65.79 -30.53 49.7 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.012 1.808 . . . . 0.0 112.296 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -65.67 -45.24 83.65 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.488 0.715 . . . . 0.0 111.613 173.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -64.98 -43.53 92.32 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.7 0.8 . . . . 0.0 111.75 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -55.06 -50.0 70.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.428 0.691 . . . . 0.0 111.978 172.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -55.65 -55.27 34.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.711 1.204 . . . . 0.0 111.023 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.5 -48.11 38.29 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.643 1.177 . . . . 0.0 112.693 -177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.5 mt -71.65 -40.65 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.829 0.851 . . . . 0.0 111.53 -178.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -57.63 -41.13 80.76 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.655 0.74 . . . . 0.0 111.151 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -35.97 32.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.587 1.155 . . . . 0.0 111.724 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.84 87.86 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.767 1.227 . . . . 0.0 111.913 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -59.96 -42.49 94.2 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.733 1.213 . . . . 0.0 111.965 173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -69.41 -33.28 72.77 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.88 0.872 . . . . 0.0 112.443 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -55.0 -53.65 53.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.355 1.062 . . . . 0.0 110.758 175.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.67 -40.42 79.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.875 1.27 . . . . 0.0 112.982 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -58.62 -46.91 86.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.617 1.099 . . . . 0.0 113.02 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -67.4 -46.11 74.21 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.039 0.936 . . . . 0.0 112.204 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -58.38 -65.66 0.61 Allowed 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 126.094 1.757 . . . . 0.0 112.148 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.56 54.53 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.84 -6.25 58.34 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.748 0.819 . . . . 0.0 112.021 169.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.612 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.09 39.38 26.65 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 130.796 4.046 . . . . 0.0 114.944 -169.35 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -63.96 -38.31 90.6 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 168.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.0 m-85 36.17 55.9 1.03 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 128.011 2.525 . . . . 0.0 110.5 -176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -130.85 -75.16 0.53 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.146 1.378 . . . . 0.0 110.102 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -77.2 -23.66 51.43 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.255 1.022 . . . . 0.0 113.42 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.3 -60.44 1.92 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.445 1.898 . . . . 0.0 113.186 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -43.54 -54.63 4.76 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.927 1.291 . . . . 0.0 113.449 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -67.95 -28.1 67.18 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 92.6 mt -69.0 -43.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.073 -1.017 . . . . 0.0 111.221 173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.446 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.6 m-85 -58.49 -46.84 85.86 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -70.28 -40.43 74.32 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -65.23 -37.97 88.94 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.857 1.208 . . . . 0.0 112.532 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.07 4.2 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.559 1.544 . . . . 0.0 112.171 169.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.96 -28.29 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.83 63.27 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.572 0.749 . . . . 0.0 111.477 170.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.79 -49.19 14.85 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 117.926 -1.035 . . . . 0.0 112.164 173.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.714 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.3 m-85 -52.47 -42.53 64.29 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 120.544 1.52 . . . . 0.0 113.238 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 72.1 mt -69.08 -36.42 77.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -65.09 -28.8 69.7 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.244 0.474 . . . . 0.0 112.135 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.99 -56.9 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 120.891 -1.131 . . . . 0.0 110.319 171.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.5 OUTLIER -62.89 -37.39 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 -172.046 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.9 ttmm -85.8 -22.07 27.83 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -176.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -130.39 -21.02 2.92 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 -170.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -136.25 24.68 3.24 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.727 1.611 . . . . 0.0 113.871 -169.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.0 159.93 6.58 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 -176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -145.14 158.27 43.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.214 1.806 . . . . 0.0 110.996 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 63.33 29.45 74.56 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.957 1.265 . . . . 0.0 115.588 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.4 t70 48.86 -89.45 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.782 2.433 . . . . 0.0 113.883 -173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -71.42 -25.09 62.19 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.301 1.44 . . . . 0.0 113.452 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.32 -25.43 59.32 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -50.9 -25.66 4.87 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.259 1.824 . . . . 0.0 114.414 170.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.38 -21.36 49.9 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.655 1.582 . . . . 0.0 113.688 172.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.0 t -52.34 -48.75 65.32 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.715 1.206 . . . . 0.0 112.421 172.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.714 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -74.05 -30.95 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.314 -0.866 . . . . 0.0 112.441 178.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -61.55 -38.58 87.95 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.703 -0.623 . . . . 0.0 111.605 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.1 -46.11 90.49 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.31 1.044 . . . . 0.0 113.241 173.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -73.82 -47.58 37.56 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.623 0.769 . . . . 0.0 113.073 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.4 p -59.92 -40.44 88.86 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.177 -0.952 . . . . 0.0 112.242 -176.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.2 m -59.15 -28.93 67.03 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.54 1.136 . . . . 0.0 112.769 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.46 -45.54 19.2 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.494 -0.753 . . . . 0.0 110.945 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.82 -34.56 77.55 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -175.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.38 -22.77 60.18 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -88.96 -44.74 10.2 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.759 1.224 . . . . 0.0 110.803 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.14 -25.22 67.99 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.672 1.189 . . . . 0.0 113.705 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -35.24 74.62 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 169.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -64.9 -24.74 67.62 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.833 -1.167 . . . . 0.0 112.756 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.74 -38.27 64.81 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.349 1.059 . . . . 0.0 112.304 173.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -35.82 71.77 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 118.339 -0.839 . . . . 0.0 112.999 173.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -56.48 -16.74 6.4 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -174.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -61.44 -41.58 97.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.446 1.098 . . . . 0.0 113.574 170.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.32 -16.95 5.3 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 -170.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -38.54 107.2 0.06 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.291 2.236 . . . . 0.0 112.732 169.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 tptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.868 2.467 . . . . 0.0 113.649 -176.411 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.465 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m -60.0 -20.66 58.96 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -57.68 -21.36 39.83 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.006 1.722 . . . . 0.0 114.223 171.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -72.68 -8.77 56.99 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.995 1.318 . . . . 0.0 113.379 174.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 0.0 OUTLIER 49.12 -9.67 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 1 C-N-CA 131.965 4.106 . . . . 0.0 119.218 -178.943 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 p -63.09 -32.21 73.53 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.35 1.46 . . . . 0.0 113.605 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m 60.93 -2.34 0.2 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 128.53 2.732 . . . . 0.0 116.608 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.0 m -70.42 130.72 42.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.233 1.413 . . . . 0.0 111.004 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 p -68.27 158.05 85.66 Favored Pre-proline 0 N--CA 1.472 0.651 0 O-C-N 121.731 -0.605 . . . . 0.0 112.372 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -64.3 -34.86 53.93 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 121.923 1.749 . . . . 0.0 112.279 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -66.45 -42.24 87.92 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.77 0.828 . . . . 0.0 111.944 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -67.35 -43.21 82.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.745 0.818 . . . . 0.0 111.865 177.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -54.28 -48.85 70.76 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.809 0.843 . . . . 0.0 111.229 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -54.45 -56.12 21.98 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.629 1.172 . . . . 0.0 111.057 173.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.49 -48.85 37.65 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.519 1.128 . . . . 0.0 112.859 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 44.8 mt -71.2 -43.07 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 124.204 1.001 . . . . 0.0 110.861 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -58.65 -41.41 86.0 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.537 0.684 . . . . 0.0 110.903 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 -34.19 37.93 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.966 0.907 . . . . 0.0 111.466 -178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.08 91.36 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 111.654 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.43 -41.56 89.86 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.705 1.202 . . . . 0.0 111.973 173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.99 -32.73 67.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.636 1.174 . . . . 0.0 112.829 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.74 -52.73 55.16 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.356 1.062 . . . . 0.0 110.837 174.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.43 76.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.536 1.534 . . . . 0.0 114.296 172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.4 tt0 -57.21 -55.33 36.12 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 120.01 1.277 . . . . 0.0 111.013 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -65.03 -39.6 93.61 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.641 0.777 . . . . 0.0 112.786 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -60.62 -66.85 0.46 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.842 0.857 . . . . 0.0 111.076 171.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -69.23 -9.27 52.29 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 115.858 1.799 . . . . 0.0 115.858 -169.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.3 -4.97 59.27 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.831 1.252 . . . . 0.0 111.44 169.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.34 44.63 21.25 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.37 4.319 . . . . 0.0 115.404 -169.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -66.96 -37.92 85.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.94 0.896 . . . . 0.0 109.179 168.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.0 m-85 35.97 54.35 0.94 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 128.165 2.586 . . . . 0.0 111.891 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -134.79 -71.42 0.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.861 1.664 . . . . 0.0 109.718 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -75.87 -26.87 57.48 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.609 1.163 . . . . 0.0 113.366 175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.25 -59.76 2.95 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 126.26 1.824 . . . . 0.0 113.176 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.77 -54.67 4.98 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.019 1.328 . . . . 0.0 113.247 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -68.61 -29.48 68.0 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 119.173 -0.441 . . . . 0.0 112.086 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.19 -42.39 88.92 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.539 1.063 . . . . 0.0 111.098 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.447 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.9 m-85 -58.18 -47.72 82.55 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.44 -0.787 . . . . 0.0 112.982 176.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -72.83 -37.79 67.35 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -62.63 -44.04 97.29 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.089 1.313 . . . . 0.0 112.082 -179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.1 -56.82 5.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.909 1.684 . . . . 0.0 111.776 170.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.0 -44.55 87.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.299 1.44 . . . . 0.0 111.62 177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -48.59 65.17 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.343 1.057 . . . . 0.0 112.144 175.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -67.03 -50.9 60.53 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 118.105 -0.95 . . . . 0.0 112.491 173.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.624 ' HB3' HD13 ' A' ' 62' ' ' ILE . 31.6 m-85 -51.14 -47.19 62.13 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 120.378 1.445 . . . . 0.0 113.042 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.4 mt -66.11 -40.93 91.1 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.833 0.853 . . . . 0.0 112.574 175.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -66.95 -26.69 66.96 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.145 0.884 . . . . 0.0 112.936 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 -60.48 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.118 -0.989 . . . . 0.0 110.558 169.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -70.67 -42.12 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -169.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -67.74 -17.6 64.61 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.241 -0.912 . . . . 0.0 113.418 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -124.05 -31.97 3.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.094 1.358 . . . . 0.0 114.078 -171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -136.63 27.73 3.03 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.661 1.585 . . . . 0.0 114.246 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.96 161.71 2.83 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 170.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -142.07 154.77 45.19 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.154 1.782 . . . . 0.0 110.774 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 73.18 179.73 37.74 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.991 1.281 . . . . 0.0 114.548 178.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -73.48 -49.96 24.04 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.251 1.021 . . . . 0.0 112.662 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.1 tptt -132.52 -10.82 3.18 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -170.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.19 -30.24 59.51 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.632 1.173 . . . . 0.0 114.121 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -48.28 -27.77 2.7 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.743 2.417 . . . . 0.0 115.201 169.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.4 tp60 -58.08 -23.03 53.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.916 1.687 . . . . 0.0 113.528 175.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.9 t -51.89 -46.9 64.71 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.698 1.599 . . . . 0.0 114.021 -177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.624 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.8 OUTLIER -82.33 -26.77 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 O-C-N 121.396 -0.815 . . . . 0.0 112.987 -177.287 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -55.89 -46.01 78.45 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.571 0.623 . . . . 0.0 110.784 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.39 -45.74 80.44 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.765 1.226 . . . . 0.0 113.257 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -79.12 -46.47 17.94 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.6 p -59.67 -38.11 80.6 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.424 -0.798 . . . . 0.0 112.72 -178.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.98 -28.35 67.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.417 1.487 . . . . 0.0 112.681 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.54 -43.79 15.34 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 121.429 -0.795 . . . . 0.0 111.285 174.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -61.59 -33.31 73.68 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.835 -1.166 . . . . 0.0 113.683 -175.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.44 -27.23 63.14 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -81.13 -40.73 23.57 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.843 1.257 . . . . 0.0 110.787 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -64.33 -29.47 70.55 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.569 1.548 . . . . 0.0 113.138 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.83 69.18 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 171.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -66.08 -26.04 67.29 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 120.788 -1.195 . . . . 0.0 112.446 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -65.91 -41.48 91.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.926 0.89 . . . . 0.0 112.086 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.06 -31.46 72.66 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-O 118.213 -0.899 . . . . 0.0 112.862 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -58.79 -18.48 32.41 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -172.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -62.18 -41.62 98.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.856 1.262 . . . . 0.0 114.078 171.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.63 -24.33 6.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.639 1.175 . . . . 0.0 113.826 -172.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.0 -48.64 52.31 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.84 1.656 . . . . 0.0 111.554 169.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.254 1.306 0 C-N-CA 128.682 2.793 . . . . 0.0 113.618 -177.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -67.12 -3.08 6.58 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 126.183 1.793 . . . . 0.0 115.217 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.41 -33.01 12.8 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.765 2.426 . . . . 0.0 113.688 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.4 p-80 -61.34 -16.03 41.91 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.051 1.74 . . . . 0.0 114.826 178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 24.4 mmt -73.01 -16.91 61.49 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.349 1.06 . . . . 0.0 113.41 172.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m 62.36 -33.87 0.11 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 129.472 3.109 . . . . 0.0 116.8 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -75.98 -4.78 43.03 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.981 1.712 . . . . 0.0 114.353 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 19.4 m -61.79 131.24 49.2 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.882 1.673 . . . . 0.0 111.272 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 m -68.46 145.52 97.28 Favored Pre-proline 0 CA--C 1.54 0.592 0 CA-C-O 118.97 -0.538 . . . . 0.0 112.371 -176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -51.21 -43.16 50.44 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.722 2.948 . . . . 0.0 114.24 176.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -63.28 -37.96 89.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.704 0.802 . . . . 0.0 112.424 176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -65.74 -48.46 71.85 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.078 1.351 . . . . 0.0 110.447 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -54.94 -48.79 72.71 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.454 0.701 . . . . 0.0 111.846 173.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -53.8 -54.01 44.27 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.99 1.316 . . . . 0.0 110.931 174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -47.49 -49.55 25.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.334 1.054 . . . . 0.0 112.779 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.3 mt -71.91 -42.51 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 123.853 0.861 . . . . 0.0 111.319 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.45 -37.45 75.47 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.313 0.578 . . . . 0.0 111.202 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.97 -33.75 22.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.259 1.024 . . . . 0.0 111.927 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -44.03 90.88 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.799 1.24 . . . . 0.0 111.604 169.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.4 t -58.15 -43.73 87.51 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.924 1.29 . . . . 0.0 111.832 173.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.2 ttmm -71.25 -33.06 69.48 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.457 1.103 . . . . 0.0 112.776 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.408 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.51 -53.83 49.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.629 1.172 . . . . 0.0 110.778 175.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.3 78.34 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.134 1.373 . . . . 0.0 113.393 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.69 -46.07 90.2 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.28 0.945 . . . . 0.0 112.37 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -68.89 -46.5 68.22 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.416 1.086 . . . . 0.0 112.667 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -57.06 -66.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.399 1.48 . . . . 0.0 111.35 176.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.05 -7.58 37.03 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -171.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.08 -5.94 59.11 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.989 1.316 . . . . 0.0 111.44 169.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.608 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.01 42.03 30.01 Favored Glycine 0 CA--C 1.521 0.458 1 C-N-CA 131.396 4.332 . . . . 0.0 115.666 -169.602 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -66.22 -36.86 84.15 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 168.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.608 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 34.37 55.09 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.665 2.786 . . . . 0.0 111.373 -176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -132.4 -76.12 0.5 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.879 1.672 . . . . 0.0 110.257 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -73.88 -26.41 60.54 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.097 0.959 . . . . 0.0 113.074 175.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.86 -60.14 2.19 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.289 1.835 . . . . 0.0 113.226 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.46 -54.75 6.97 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.313 1.045 . . . . 0.0 113.546 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -66.64 -22.77 66.1 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.98 -46.25 53.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.039 0.836 . . . . 0.0 111.112 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.408 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -54.65 -47.69 73.22 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.178 -0.951 . . . . 0.0 113.019 177.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -70.48 -38.08 74.32 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 176.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -65.65 -41.53 92.44 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 120.313 1.415 . . . . 0.0 112.832 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.96 -56.89 6.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.257 1.423 . . . . 0.0 111.909 170.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.7 t -55.91 -45.05 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 125.576 1.55 . . . . 0.0 111.66 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -53.02 42.09 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.432 1.093 . . . . 0.0 112.051 174.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -66.37 -47.7 72.52 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.277 0.944 . . . . 0.0 112.788 177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.707 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -50.02 -52.22 35.87 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.697 1.135 . . . . 0.0 112.648 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.61 -38.74 87.6 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.901 0.88 . . . . 0.0 112.545 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -65.39 -23.9 67.08 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.242 0.928 . . . . 0.0 112.633 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 84.6 t -79.46 -60.36 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 O-C-N 121.322 -0.862 . . . . 0.0 110.141 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.2 t -73.14 -29.32 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -169.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -76.23 -17.97 59.25 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.769 1.168 . . . . 0.0 113.388 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -122.65 -27.47 4.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.115 1.366 . . . . 0.0 114.02 -170.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -136.4 -147.91 0.27 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.019 2.527 . . . . 0.0 110.861 -174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 66.25 178.81 0.21 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.583 2.353 . . . . 0.0 114.718 -173.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -148.46 161.14 42.21 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.654 1.982 . . . . 0.0 111.865 -170.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.08 -148.45 47.73 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.918 -0.489 . . . . 0.0 112.886 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -125.17 -65.47 1.02 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.402 1.081 . . . . 0.0 111.348 172.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -54.14 -36.59 63.46 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.94 -26.46 62.27 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 124.854 1.261 . . . . 0.0 114.247 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -86.03 -37.93 18.4 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.801 1.64 . . . . 0.0 111.506 174.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -57.47 -31.86 66.38 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.668 0.787 . . . . 0.0 112.403 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.8 m -50.45 -43.48 55.17 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.526 1.53 . . . . 0.0 113.647 175.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.707 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -82.01 -38.51 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.954 0.797 . . . . 0.0 111.921 173.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -59.9 -35.57 75.14 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.138 0.881 . . . . 0.0 112.094 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.62 -15.74 63.8 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.665 1.586 . . . . 0.0 114.903 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.05 -39.34 3.67 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 p -57.18 -38.9 74.3 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.066 -1.021 . . . . 0.0 111.774 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.1 m -59.01 -29.1 67.0 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.825 2.05 . . . . 0.0 113.92 177.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -89.7 -35.52 15.74 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.303 0.956 . . . . 0.0 112.444 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.83 -33.58 75.99 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.28 -0.887 . . . . 0.0 113.139 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.16 -22.0 60.59 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -88.95 -47.68 7.98 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.728 1.211 . . . . 0.0 110.689 -177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -62.64 -30.1 71.11 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.04 70.63 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.324 1.049 . . . . 0.0 113.382 171.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.32 -29.57 69.17 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.375 -1.453 . . . . 0.0 112.887 -178.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -73.33 -38.35 65.83 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.138 0.975 . . . . 0.0 111.845 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.57 -36.7 56.43 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.98 1.312 . . . . 0.0 112.676 174.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -52.91 -22.75 5.93 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -54.83 -48.68 72.54 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.895 1.278 . . . . 0.0 112.947 172.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -96.18 -39.44 9.68 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.591 1.156 . . . . 0.0 111.53 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -44.73 52.78 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.04 1.336 . . . . 0.0 112.107 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.2 mttp . . . . . 0 C--O 1.254 1.309 0 C-N-CA 128.249 2.619 . . . . 0.0 113.065 -172.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.415 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 p -70.9 -15.3 62.61 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.847 1.259 . . . . 0.0 114.295 176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -70.23 73.41 0.48 Allowed 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 128.722 2.809 . . . . 0.0 113.706 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -82.37 2.57 31.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.704 1.601 . . . . 0.0 114.191 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 53.6 ttm 66.76 -37.47 0.3 Allowed 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 129.032 2.933 . . . . 0.0 114.559 -174.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -72.43 -3.64 25.4 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.818 1.647 . . . . 0.0 113.693 169.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.6 m -57.36 153.42 12.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 127.114 2.165 . . . . 0.0 113.705 -179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.0 m -133.03 147.14 52.24 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.726 1.61 . . . . 0.0 110.606 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -68.96 146.68 97.51 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.7 -45.48 36.53 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.449 2.766 . . . . 0.0 113.778 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.9 p-10 -74.26 -25.06 59.4 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.871 0.868 . . . . 0.0 113.142 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.4 -52.12 59.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.353 1.061 . . . . 0.0 109.737 169.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -56.78 -45.02 82.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.809 0.844 . . . . 0.0 111.853 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -52.8 -54.36 35.25 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.93 1.292 . . . . 0.0 111.383 172.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.25 -46.3 45.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.071 0.948 . . . . 0.0 112.826 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.7 mt -74.39 -40.79 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.89 0.876 . . . . 0.0 111.374 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -57.03 -38.28 72.95 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.277 0.631 . . . . 0.0 111.113 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.21 -33.15 22.31 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.543 1.137 . . . . 0.0 112.182 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.02 -42.54 90.41 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.888 1.222 . . . . 0.0 111.367 169.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -60.06 -44.38 94.77 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.015 1.326 . . . . 0.0 111.801 173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -65.22 -40.17 93.74 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.308 1.043 . . . . 0.0 111.906 175.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -53.35 -55.85 21.5 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.745 1.618 . . . . 0.0 110.694 176.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.54 -39.24 79.67 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.421 1.488 . . . . 0.0 113.454 173.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.51 -46.98 87.69 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 119.386 0.994 . . . . 0.0 112.436 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -64.3 -47.79 78.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.989 0.916 . . . . 0.0 112.299 174.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.37 -66.96 0.35 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.818 1.647 . . . . 0.0 111.838 176.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 mmmm -69.2 -7.08 33.22 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 -170.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.4 -5.11 58.48 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.608 1.563 . . . . 0.0 111.521 169.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.599 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.2 43.48 33.31 Favored Glycine 0 CA--C 1.522 0.48 1 C-N-CA 131.569 4.414 . . . . 0.0 115.606 -169.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -67.38 -34.68 77.79 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 168.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.1 m-85 32.95 54.98 0.42 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 128.936 2.894 . . . . 0.0 112.26 -179.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -130.14 -78.82 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.503 1.521 . . . . 0.0 110.102 177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -70.69 -26.02 63.23 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.417 1.087 . . . . 0.0 113.377 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.4 -58.94 2.66 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.366 1.866 . . . . 0.0 113.174 -176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.96 -54.69 5.17 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.64 1.176 . . . . 0.0 113.795 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -70.46 -20.27 62.89 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 97.3 mt -73.73 -45.46 51.97 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.081 0.855 . . . . 0.0 110.951 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -56.14 -48.65 75.85 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.177 -0.952 . . . . 0.0 113.124 178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -65.7 -40.64 92.52 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 118.323 -0.846 . . . . 0.0 113.226 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -65.58 -41.7 92.59 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.327 1.422 . . . . 0.0 113.096 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.72 -55.77 10.48 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.164 0.986 . . . . 0.0 111.565 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -59.63 -42.45 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.965 1.306 . . . . 0.0 111.985 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -54.16 28.66 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.421 1.088 . . . . 0.0 111.172 174.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -65.19 -47.84 75.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.094 -0.955 . . . . 0.0 112.567 177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.69 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.5 m-85 -51.29 -49.25 61.61 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 120.24 1.382 . . . . 0.0 112.786 178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.9 mt -71.23 -29.78 65.55 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.033 0.933 . . . . 0.0 113.436 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -67.41 -36.97 82.34 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.464 1.029 . . . . 0.0 111.871 172.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.6 t -66.42 -52.35 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.171 -0.955 . . . . 0.0 109.83 173.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.6 t -62.34 -57.06 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.1 ttmt -70.56 -23.78 62.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -170.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -124.57 -20.62 5.06 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -136.27 9.95 3.23 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -169.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.12 156.95 14.02 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -137.35 153.41 50.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.695 1.998 . . . . 0.0 109.894 171.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 64.61 21.26 66.84 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 115.258 0.863 . . . . 0.0 115.258 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.5 t70 39.87 -91.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.801 2.84 . . . . 0.0 114.828 -171.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.25 -19.47 5.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 127.36 2.264 . . . . 0.0 115.024 -171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.2 -26.72 12.3 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.335 1.454 . . . . 0.0 113.996 171.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -51.91 -25.2 7.55 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.555 1.942 . . . . 0.0 115.541 173.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.27 -27.02 63.64 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.163 1.385 . . . . 0.0 112.846 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.6 p -53.61 -46.02 70.29 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.574 1.55 . . . . 0.0 113.914 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.69 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.67 -28.39 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 174.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -62.6 -29.91 70.95 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.688 1.131 . . . . 0.0 111.773 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -15.25 62.27 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.741 1.617 . . . . 0.0 115.069 170.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.47 -42.78 2.53 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.8 p -55.71 -37.29 68.18 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.724 1.147 . . . . 0.0 112.372 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.3 m -59.05 -29.07 67.02 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 127.008 2.123 . . . . 0.0 113.918 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -87.09 -37.56 17.3 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.257 -0.902 . . . . 0.0 111.556 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -65.27 -35.63 81.61 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.18 -25.28 63.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 173.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -88.09 -37.48 16.2 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.388 1.075 . . . . 0.0 111.335 -178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 30.5 tpt180 -64.87 -31.24 72.38 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.383 1.073 . . . . 0.0 113.203 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.9 -34.45 77.44 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.589 0.756 . . . . 0.0 112.455 173.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -66.25 -30.0 70.35 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.533 -1.354 . . . . 0.0 112.824 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -38.51 66.48 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.959 0.903 . . . . 0.0 111.853 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.91 -36.89 63.22 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.79 1.236 . . . . 0.0 113.278 172.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -53.69 -22.42 8.97 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.25 -38.5 80.19 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 173.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.4 -28.35 6.51 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.744 1.218 . . . . 0.0 113.045 -175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.19 -47.68 45.8 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.157 1.383 . . . . 0.0 112.072 170.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.922 1.689 . . . . 0.0 112.617 -179.194 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.421 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -143.04 -11.15 0.76 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.308 1.443 . . . . 0.0 114.707 -175.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -151.02 168.1 25.61 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 119.541 1.064 . . . . 0.0 112.321 -176.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -76.8 168.21 20.49 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.912 1.285 . . . . 0.0 111.595 169.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 76.1 mtm 55.41 -73.33 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 128.473 2.709 . . . . 0.0 115.191 178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 m -70.26 -6.38 34.45 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.831 2.052 . . . . 0.0 114.267 175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.0 m 67.37 -28.31 0.14 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.292 3.037 . . . . 0.0 115.779 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 70.7 m -142.13 162.52 35.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 127.404 2.282 . . . . 0.0 108.825 174.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -67.94 138.14 92.58 Favored Pre-proline 0 N--CA 1.472 0.66 0 O-C-N 121.114 -0.991 . . . . 0.0 111.778 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.36 -44.27 44.38 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 124.01 3.14 . . . . 0.0 114.5 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.59 -41.69 98.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.485 0.714 . . . . 0.0 112.085 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.1 tp -66.86 -44.27 81.45 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.102 0.961 . . . . 0.0 111.62 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -57.89 -45.84 85.8 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.466 0.707 . . . . 0.0 111.785 174.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.31 -55.9 27.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.736 1.214 . . . . 0.0 110.841 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -47.98 33.13 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 112.919 -177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.0 mt -71.16 -41.8 75.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 123.793 0.837 . . . . 0.0 111.458 -177.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -57.51 -42.22 82.36 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.637 0.732 . . . . 0.0 110.931 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.52 -36.23 38.81 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.532 1.133 . . . . 0.0 111.586 -177.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -45.66 89.39 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.074 1.349 . . . . 0.0 111.926 170.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.7 t -59.26 -42.0 90.12 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.645 1.178 . . . . 0.0 111.938 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -72.13 -32.44 66.93 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.692 1.197 . . . . 0.0 112.92 179.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.44 -55.83 16.6 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.651 1.18 . . . . 0.0 111.451 175.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.78 -36.81 77.45 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.137 1.375 . . . . 0.0 113.609 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.77 -42.1 92.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.634 0.773 . . . . 0.0 112.227 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -72.26 -52.88 14.35 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.055 0.942 . . . . 0.0 112.259 172.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.04 -61.73 2.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.904 1.682 . . . . 0.0 112.311 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -69.75 -5.41 25.06 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 -176.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.46 1.14 57.42 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.029 1.331 . . . . 0.0 111.017 169.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 57.52 31.09 62.85 Favored Glycine 0 CA--C 1.522 0.498 1 C-N-CA 131.256 4.265 . . . . 0.0 116.127 -169.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -82.13 58.68 4.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 122.443 1.116 . . . . 0.0 108.213 168.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 3.3 m-85 -63.56 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 128.013 2.525 . . . . 0.0 109.181 170.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -160.15 -67.91 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.565 2.346 . . . . 0.0 108.524 -170.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -81.79 -33.46 30.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.657 1.183 . . . . 0.0 112.417 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.58 -58.17 3.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.85 1.66 . . . . 0.0 113.154 -176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' HB2' HD21 ' A' ' 80' ' ' LEU . 0.9 OUTLIER -50.77 -52.91 36.33 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -177.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -62.17 -27.23 68.81 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.831 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -71.27 -45.99 61.92 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.908 0.776 . . . . 0.0 111.107 171.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -57.44 -48.42 79.2 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.907 -1.12 . . . . 0.0 113.302 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -70.93 -37.48 72.87 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 66.5 m170 -70.73 -37.25 73.47 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 120.07 1.305 . . . . 0.0 112.885 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -45.46 -58.32 3.45 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.291 1.437 . . . . 0.0 111.315 169.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 3.6 m -68.34 -32.37 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.02 -41.59 64.86 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.283 0.947 . . . . 0.0 111.893 173.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -72.44 -56.08 5.99 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 118.03 -0.986 . . . . 0.0 112.08 170.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.727 ' HB3' HD13 ' A' ' 62' ' ' ILE . 35.2 m-85 -49.19 -48.62 45.07 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.524 1.511 . . . . 0.0 113.584 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.22 -50.97 71.7 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.345 1.858 . . . . 0.0 111.899 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.2 t60 -65.8 -27.02 67.96 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.571 1.078 . . . . 0.0 112.939 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 96.0 t -68.38 -60.5 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 O-C-N 121.14 -0.975 . . . . 0.0 110.453 169.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.5 p -70.12 -43.2 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 O-C-N 120.732 -1.23 . . . . 0.0 113.743 -172.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -65.52 -16.0 63.24 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -176.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -130.94 -26.59 2.15 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.963 1.305 . . . . 0.0 113.664 -172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -141.49 38.12 1.69 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.408 1.883 . . . . 0.0 112.807 -171.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.64 145.8 6.37 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.557 1.143 . . . . 0.0 113.952 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -125.11 157.42 36.39 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.105 1.362 . . . . 0.0 112.564 -174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 62.58 -175.21 7.56 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 126.164 1.84 . . . . 0.0 115.019 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -71.81 -46.77 57.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.357 1.063 . . . . 0.0 111.22 169.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -132.68 -10.85 3.11 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.617 1.967 . . . . 0.0 114.339 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -33.15 54.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.06 1.344 . . . . 0.0 114.081 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -45.42 -36.19 4.18 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.326 2.25 . . . . 0.0 114.942 169.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -68.7 -23.75 64.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.558 1.143 . . . . 0.0 113.222 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.9 t -58.95 -49.37 78.09 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.8 0.84 . . . . 0.0 111.789 176.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.727 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -65.25 -42.25 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 CA-C-N 118.544 0.611 . . . . 0.0 110.811 175.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -60.83 -36.69 79.73 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.473 0.579 . . . . 0.0 112.094 -175.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.56 -46.07 84.37 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.935 0.894 . . . . 0.0 112.781 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.87 -38.16 33.3 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -177.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.1 p -60.56 -41.96 95.62 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 120.772 -1.205 . . . . 0.0 111.484 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.3 m -58.36 -30.3 66.65 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 124.744 1.218 . . . . 0.0 112.928 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.77 -39.14 20.42 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.099 0.863 . . . . 0.0 112.237 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -63.57 -36.34 83.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.879 1.218 . . . . 0.0 113.604 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -72.96 -32.08 64.99 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.91 -34.0 45.05 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.806 0.843 . . . . 0.0 111.247 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 20.6 tpt85 -67.77 -30.41 69.86 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.16 1.384 . . . . 0.0 113.362 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.21 -27.04 68.7 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 123.703 0.801 . . . . 0.0 112.839 172.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -58.41 -35.13 71.58 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.425 -1.422 . . . . 0.0 112.327 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -38.38 65.87 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.649 1.18 . . . . 0.0 112.808 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -36.04 75.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 118.481 -0.771 . . . . 0.0 112.94 176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.47 -8.04 5.55 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -64.28 -38.96 92.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.726 0.81 . . . . 0.0 111.872 168.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -127.04 -19.68 4.34 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 -170.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.417 HD21 ' HB2' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -34.93 105.86 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 127.648 2.379 . . . . 0.0 113.32 169.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt . . . . . 0 C--O 1.252 1.187 0 C-N-CA 127.653 2.381 . . . . 0.0 113.643 -179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -73.49 -11.03 60.32 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 -176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -135.15 174.91 10.08 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 126.469 1.907 . . . . 0.0 111.065 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -119.97 -9.76 9.59 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.194 1.798 . . . . 0.0 114.492 -174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.76 124.41 21.88 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.284 1.033 . . . . 0.0 111.427 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -135.71 83.23 2.0 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.234 1.414 . . . . 0.0 111.167 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.2 p -73.61 -36.29 65.47 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 113.565 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.1 m -139.94 139.71 36.21 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 126.968 2.107 . . . . 0.0 109.583 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 p -67.89 156.27 89.78 Favored Pre-proline 0 N--CA 1.473 0.712 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.06 -30.92 55.95 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 121.919 1.746 . . . . 0.0 112.102 177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -66.28 -44.25 84.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.064 0.945 . . . . 0.0 112.449 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.2 mt -62.44 -49.42 75.52 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.975 0.807 . . . . 0.0 111.626 171.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -51.48 -46.47 63.14 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 122.917 0.487 . . . . 0.0 111.765 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tmtm? -56.78 -57.81 10.82 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.839 1.256 . . . . 0.0 111.538 171.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.78 -47.27 42.06 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.388 1.075 . . . . 0.0 112.612 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -73.59 -41.33 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.475 1.11 . . . . 0.0 111.192 -177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.58 -39.15 79.53 Favored 'General case' 0 N--CA 1.468 0.474 0 O-C-N 121.657 -0.652 . . . . 0.0 111.032 177.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 -33.47 25.94 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.912 0.885 . . . . 0.0 111.555 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.2 -44.77 92.23 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.732 1.213 . . . . 0.0 111.251 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.0 t -58.72 -41.5 86.54 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.939 1.296 . . . . 0.0 112.042 174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -72.93 -33.23 65.81 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.616 1.166 . . . . 0.0 112.831 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.09 -52.55 58.25 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.133 0.973 . . . . 0.0 111.133 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.235 1.414 . . . . 0.0 114.172 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -57.4 -53.72 54.92 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 120.103 1.32 . . . . 0.0 111.177 172.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -68.05 -41.95 81.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.522 0.729 . . . . 0.0 112.635 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.56 -65.74 0.61 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.777 1.231 . . . . 0.0 111.409 173.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -69.46 -8.33 45.83 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 -170.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.89 -5.46 59.09 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.563 1.545 . . . . 0.0 111.728 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.8 41.7 27.98 Favored Glycine 0 CA--C 1.521 0.431 1 C-N-CA 130.928 4.109 . . . . 0.0 115.519 -169.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -66.23 -36.04 82.01 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 168.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.2 m-85 35.0 54.13 0.7 Allowed 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.492 2.717 . . . . 0.0 111.431 -178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -132.84 -79.26 0.49 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.741 1.616 . . . . 0.0 110.183 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -69.08 -27.63 65.78 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.483 1.113 . . . . 0.0 112.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.83 -60.55 2.17 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.989 2.116 . . . . 0.0 113.557 -174.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.63 -54.53 7.57 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -65.94 -25.87 67.33 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.96 -44.1 70.2 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 118.679 0.672 . . . . 0.0 111.144 171.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.438 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 12.5 m-85 -56.66 -49.94 73.57 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.118 -0.989 . . . . 0.0 112.965 177.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.38 -37.65 71.58 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -63.96 -40.66 96.94 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.279 1.4 . . . . 0.0 112.584 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.17 -56.25 9.81 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.086 1.354 . . . . 0.0 112.049 169.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.66 -42.58 81.81 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 125.376 1.47 . . . . 0.0 112.093 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -54.27 23.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.884 1.274 . . . . 0.0 111.475 173.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -66.81 -48.11 69.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 118.214 -0.898 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.5 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -48.39 -55.87 9.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.675 1.125 . . . . 0.0 112.57 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.85 -41.56 97.78 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.853 0.861 . . . . 0.0 112.798 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -66.37 -21.07 66.23 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.8 t -84.33 -60.1 2.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-N 119.096 0.862 . . . . 0.0 109.226 169.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.98 -35.73 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 N-CA-C 115.269 1.581 . . . . 0.0 115.269 -169.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -75.01 -21.36 59.15 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -126.08 -28.21 3.18 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.954 1.835 . . . . 0.0 115.954 -169.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.56 25.5 4.08 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.889 1.441 . . . . 0.0 114.889 -169.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -136.82 148.93 47.43 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.136 0.974 . . . . 0.0 112.338 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -131.74 157.03 44.87 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.496 1.518 . . . . 0.0 111.659 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.34 153.04 4.59 Favored Glycine 0 CA--C 1.534 1.233 0 C-N-CA 124.856 1.217 . . . . 0.0 111.909 -169.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.69 -50.34 58.13 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.224 -1.163 . . . . 0.0 112.61 -175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -65.88 -30.47 71.08 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.84 -42.4 75.71 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.218 1.007 . . . . 0.0 111.886 170.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -73.29 -50.09 24.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.862 1.665 . . . . 0.0 111.187 173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -54.61 -37.2 65.3 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.808 1.243 . . . . 0.0 112.72 -175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.9 t -55.62 -52.3 64.28 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.865 1.266 . . . . 0.0 112.793 174.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -71.95 -35.13 53.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 119.238 0.926 . . . . 0.0 111.968 176.246 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -58.86 -40.23 83.69 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 119.365 0.984 . . . . 0.0 111.475 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.71 -18.84 65.58 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.542 1.537 . . . . 0.0 115.027 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -43.09 4.48 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.9 p -56.87 -37.3 71.14 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.161 -0.962 . . . . 0.0 112.319 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.8 t -63.03 -20.72 65.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.742 1.217 . . . . 0.0 113.791 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.07 -41.0 13.36 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.995 0.816 . . . . 0.0 110.37 172.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -64.53 -35.31 80.54 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -74.05 -23.16 59.34 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 172.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -88.05 -45.31 10.29 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 125.213 1.405 . . . . 0.0 111.0 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -64.54 -30.41 71.43 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.5 1.12 . . . . 0.0 113.586 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.41 68.03 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.022 0.929 . . . . 0.0 112.96 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -65.92 -27.99 68.6 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 120.565 -1.334 . . . . 0.0 112.937 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -38.48 50.11 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.318 1.047 . . . . 0.0 111.756 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.25 -37.64 64.9 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.969 1.308 . . . . 0.0 112.976 173.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -57.65 -15.5 7.84 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.492 1.294 . . . . 0.0 114.492 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -61.66 -40.16 93.93 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 -34.87 6.3 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.853 1.261 . . . . 0.0 112.345 -176.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -50.4 26.47 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.484 1.514 . . . . 0.0 112.373 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.833 1.653 . . . . 0.0 112.721 -173.009 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -67.57 157.99 33.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.576 1.151 . . . . 0.0 113.118 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.07 -3.82 38.04 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.823 1.649 . . . . 0.0 113.342 170.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 t60 -70.74 70.92 0.49 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.547 1.939 . . . . 0.0 112.179 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.4 mmt -79.55 -9.77 59.68 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.726 1.611 . . . . 0.0 114.619 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.6 p -66.22 166.26 12.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.159 1.384 . . . . 0.0 113.46 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 96.0 p -124.52 176.43 6.52 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.948 1.699 . . . . 0.0 113.587 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -112.08 116.19 30.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.687 1.595 . . . . 0.0 110.328 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.6 m -69.92 154.3 94.78 Favored Pre-proline 0 N--CA 1.475 0.814 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -51.73 -38.9 67.51 Favored 'Trans proline' 0 C--N 1.351 0.686 0 C-N-CA 123.68 2.92 . . . . 0.0 114.598 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -63.38 -37.72 88.38 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.394 0.678 . . . . 0.0 112.326 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.67 -43.02 69.97 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.051 0.941 . . . . 0.0 111.725 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -53.84 -48.17 70.23 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.434 0.694 . . . . 0.0 111.26 171.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -56.25 -57.42 12.31 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.91 1.284 . . . . 0.0 111.139 172.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.47 -48.45 37.71 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.322 1.049 . . . . 0.0 112.715 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.11 -40.68 75.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.645 0.778 . . . . 0.0 111.487 -177.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -58.29 -41.07 83.58 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.629 0.728 . . . . 0.0 111.065 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.08 -35.29 31.89 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.449 1.1 . . . . 0.0 111.545 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.09 -45.01 91.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.139 1.375 . . . . 0.0 111.823 169.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.0 t -57.73 -44.88 86.33 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.437 1.095 . . . . 0.0 111.263 173.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.35 -35.57 76.02 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.45 0.7 . . . . 0.0 112.814 178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -50.81 -53.47 31.74 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.798 1.239 . . . . 0.0 111.189 173.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.29 -39.97 88.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.245 1.418 . . . . 0.0 113.723 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -59.45 -46.3 89.16 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.733 1.151 . . . . 0.0 112.439 174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.29 -52.52 63.37 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.699 1.6 . . . . 0.0 111.974 174.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -56.78 -66.96 0.36 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.365 1.866 . . . . 0.0 112.054 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.02 -8.89 49.18 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 115.181 1.548 . . . . 0.0 115.181 -169.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.75 -6.88 59.62 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 125.187 1.395 . . . . 0.0 111.384 168.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.607 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.16 39.57 20.18 Favored Glycine 0 C--N 1.335 0.506 1 C-N-CA 131.364 4.316 . . . . 0.0 114.962 -169.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.83 -39.54 94.46 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 168.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.607 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.85 56.56 0.96 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.24 2.616 . . . . 0.0 111.258 -176.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -128.95 -57.48 1.17 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.727 0.811 . . . . 0.0 112.037 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -94.94 -29.15 14.81 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.304 1.441 . . . . 0.0 112.809 171.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -33.62 -60.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 128.304 2.642 . . . . 0.0 114.74 -171.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.24 -52.67 5.55 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.87 1.668 . . . . 0.0 113.375 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.58 -30.1 69.63 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 118.241 0.473 . . . . 0.0 111.661 -175.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.55 -40.5 76.78 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.695 -0.628 . . . . 0.0 110.75 177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 20.4 m-85 -59.48 -50.93 72.01 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.494 -0.754 . . . . 0.0 112.829 174.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -68.15 -39.57 82.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -65.82 -41.21 92.1 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.944 1.247 . . . . 0.0 112.704 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.76 -55.96 10.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.163 1.385 . . . . 0.0 111.689 169.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -57.82 -42.77 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.296 1.438 . . . . 0.0 112.035 176.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -48.29 50.94 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.66 1.184 . . . . 0.0 111.8 174.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -72.46 -48.81 37.93 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.296 -0.859 . . . . 0.0 112.169 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.757 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.4 m-85 -50.49 -45.77 56.56 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.903 1.229 . . . . 0.0 113.014 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 86.2 mt -69.2 -38.22 78.49 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -66.21 -25.04 66.73 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.814 0.734 . . . . 0.0 112.963 173.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 95.8 t -75.31 -60.33 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 O-C-N 121.529 -0.732 . . . . 0.0 109.673 169.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -37.43 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 -169.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -78.73 -21.04 48.63 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -129.51 -24.94 2.71 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -169.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -146.56 32.8 0.96 Allowed 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.753 1.221 . . . . 0.0 113.605 -169.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.22 167.81 4.82 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.913 1.285 . . . . 0.0 114.224 175.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -132.96 157.67 44.58 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.927 1.691 . . . . 0.0 111.47 172.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.98 177.99 9.51 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.627 1.584 . . . . 0.0 115.137 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -80.53 -83.69 0.1 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.404 1.082 . . . . 0.0 110.705 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -73.85 -25.76 60.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.819 1.248 . . . . 0.0 113.665 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.43 -36.1 53.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.434 1.494 . . . . 0.0 114.823 -169.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? -56.27 -24.22 41.44 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.689 1.596 . . . . 0.0 115.25 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -60.87 -19.8 60.8 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.048 1.339 . . . . 0.0 113.125 173.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.9 m -55.06 -41.33 71.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.138 1.375 . . . . 0.0 113.593 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.757 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -81.03 -33.84 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 119.037 0.835 . . . . 0.0 112.029 173.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -61.19 -37.55 83.35 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.577 -0.702 . . . . 0.0 111.131 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.23 -20.28 65.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.74 1.616 . . . . 0.0 114.809 174.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.86 -44.6 4.39 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 15.0 p -57.17 -38.76 74.05 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.154 -0.966 . . . . 0.0 112.256 178.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -60.41 -29.81 69.22 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.111 1.764 . . . . 0.0 113.332 176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -84.73 -38.76 19.3 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 119.037 0.835 . . . . 0.0 111.702 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.2 -33.62 76.22 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.74 -23.93 61.7 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 173.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -90.86 -38.7 12.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.783 1.233 . . . . 0.0 111.216 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.37 -31.12 71.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.993 1.717 . . . . 0.0 112.705 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -28.96 70.38 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.938 1.295 . . . . 0.0 113.527 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.55 -32.22 73.15 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.714 -1.241 . . . . 0.0 112.399 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -38.47 71.92 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.663 1.185 . . . . 0.0 112.405 177.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -36.01 71.79 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.862 175.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -58.01 -15.0 7.56 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -173.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -63.34 -41.23 98.87 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.471 1.108 . . . . 0.0 113.76 170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.26 -17.29 5.24 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -169.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -41.77 104.89 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.773 2.029 . . . . 0.0 112.687 169.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.682 1.993 . . . . 0.0 113.713 179.175 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.54 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -64.83 -16.12 62.7 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -170.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -57.57 -26.91 62.16 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.301 1.44 . . . . 0.0 114.014 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -68.44 -17.73 64.27 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.075 1.35 . . . . 0.0 113.973 175.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 27.2 ptm 48.2 -1.19 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 131.159 3.784 . . . . 0.0 119.031 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -73.95 -13.71 60.93 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.732 1.613 . . . . 0.0 114.4 174.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.3 m -66.59 -33.98 76.87 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.6 1.56 . . . . 0.0 114.351 -175.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 m -83.48 148.03 27.47 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.065 1.346 . . . . 0.0 110.899 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -68.19 141.45 93.93 Favored Pre-proline 0 N--CA 1.471 0.61 0 O-C-N 121.387 -0.82 . . . . 0.0 112.284 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.7 -44.1 46.69 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.883 3.055 . . . . 0.0 114.254 179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -64.37 -41.08 96.91 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.607 0.763 . . . . 0.0 112.174 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.18 -42.18 89.23 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.102 0.961 . . . . 0.0 111.653 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.86 -44.79 93.96 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.723 -0.611 . . . . 0.0 111.559 172.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.55 -49.09 77.5 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.632 0.773 . . . . 0.0 111.532 171.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.6 -47.42 49.59 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.509 0.724 . . . . 0.0 112.503 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.4 mt -74.96 -44.68 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 123.981 0.912 . . . . 0.0 111.234 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -50.52 -42.59 55.2 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.901 1.281 . . . . 0.0 111.629 173.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.96 -30.49 21.26 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.792 0.837 . . . . 0.0 112.184 -177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.64 -44.92 93.33 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.784 1.175 . . . . 0.0 110.646 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.2 t -58.43 -41.37 84.89 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 112.07 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -72.34 -35.25 68.52 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.299 -0.876 . . . . 0.0 112.733 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.21 -52.64 58.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.644 1.178 . . . . 0.0 110.896 173.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.82 -38.36 78.48 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.263 1.425 . . . . 0.0 113.753 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -62.72 -45.8 91.05 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.338 0.972 . . . . 0.0 112.639 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.66 -47.22 76.26 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.64 0.776 . . . . 0.0 112.276 174.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -55.41 -68.98 0.15 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 126.026 1.73 . . . . 0.0 111.59 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -70.44 -4.76 24.19 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 -169.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.5 -3.9 59.09 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.829 1.252 . . . . 0.0 110.916 168.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.578 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.19 42.73 17.54 Favored Glycine 0 C--N 1.335 0.475 1 C-N-CA 131.908 4.575 . . . . 0.0 115.41 -169.465 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -64.02 -33.52 75.93 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 168.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.2 m-85 25.21 65.65 0.05 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.377 3.071 . . . . 0.0 110.821 -173.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -141.8 -79.08 0.25 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.708 2.003 . . . . 0.0 110.319 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -71.67 -28.0 63.44 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.652 1.181 . . . . 0.0 113.352 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.26 -55.26 7.46 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 126.132 1.773 . . . . 0.0 113.055 -173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.71 -54.74 4.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.528 1.131 . . . . 0.0 113.615 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -68.06 -28.81 67.69 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.519 0.599 . . . . 0.0 112.017 -178.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.65 -41.02 84.5 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.554 -0.716 . . . . 0.0 111.094 175.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.48 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.7 m-85 -58.84 -50.41 74.08 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.275 -0.891 . . . . 0.0 112.513 174.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.33 -35.77 73.83 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 177.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -64.25 -41.02 97.15 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.507 1.503 . . . . 0.0 112.484 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.76 -54.92 23.23 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.762 1.225 . . . . 0.0 111.703 169.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.4 t -56.43 -42.2 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.506 1.522 . . . . 0.0 111.872 176.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -52.39 24.56 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.293 1.437 . . . . 0.0 111.594 173.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -72.68 -45.64 57.87 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.706 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 30.7 m-85 -50.25 -49.82 51.88 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.798 1.181 . . . . 0.0 112.1 177.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.37 -42.69 78.78 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.016 0.926 . . . . 0.0 112.914 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -63.93 -27.79 69.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.821 1.191 . . . . 0.0 112.391 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.51 -60.71 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 O-C-N 121.26 -0.9 . . . . 0.0 110.797 170.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.83 -36.92 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -169.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -60.98 -23.21 65.2 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.204 1.365 . . . . 0.0 112.675 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -116.01 -28.83 6.51 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.274 1.429 . . . . 0.0 113.673 -171.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -133.18 21.26 4.06 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -169.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.16 109.11 0.23 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.797 1.239 . . . . 0.0 113.519 170.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -80.13 101.4 8.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.305 1.042 . . . . 0.0 110.447 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.89 173.32 40.64 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.514 1.054 . . . . 0.0 113.911 -173.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.4 -63.86 0.97 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.795 1.238 . . . . 0.0 113.936 -170.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -72.07 -25.75 61.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -170.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.33 -30.37 51.15 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.429 1.492 . . . . 0.0 114.712 -171.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -57.46 -31.42 65.93 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.032 1.333 . . . . 0.0 114.231 175.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.1 tp60 -64.62 -26.29 68.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.036 0.934 . . . . 0.0 112.93 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.4 m -60.11 -41.98 93.74 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.973 1.309 . . . . 0.0 113.399 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE 0.265 0.5 OUTLIER -82.97 -30.87 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.499 1.045 . . . . 0.0 113.671 170.099 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 -57.58 -37.83 73.84 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.484 1.038 . . . . 0.0 112.032 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.62 75.03 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.84 1.256 . . . . 0.0 113.62 172.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -85.65 -46.44 10.76 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.394 1.078 . . . . 0.0 113.422 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.4 p -63.03 -38.03 89.56 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.966 -1.084 . . . . 0.0 112.393 -175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.7 m -61.13 -28.07 68.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.318 1.447 . . . . 0.0 112.931 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -85.28 -39.29 17.89 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.865 0.757 . . . . 0.0 112.103 173.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.38 -33.84 75.53 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.673 1.124 . . . . 0.0 113.642 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.37 -27.77 64.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -84.77 -34.32 22.84 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.926 1.29 . . . . 0.0 111.613 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.0 mmm-85 -62.2 -33.0 73.73 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.67 1.588 . . . . 0.0 111.985 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.16 -41.25 77.5 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.678 1.191 . . . . 0.0 112.746 172.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.39 -28.2 69.61 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.741 -1.225 . . . . 0.0 113.171 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.74 -41.83 71.32 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 118.634 0.652 . . . . 0.0 112.419 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.84 -33.65 66.99 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 124.759 1.224 . . . . 0.0 112.539 178.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -52.3 -26.15 11.33 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.822 1.249 . . . . 0.0 113.979 -176.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -56.98 -55.96 27.87 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.001 1.32 . . . . 0.0 113.34 176.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -44.17 14.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.061 0.944 . . . . 0.0 111.376 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.91 -32.8 73.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.22 1.808 . . . . 0.0 115.092 -169.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.106 2.162 . . . . 0.0 113.283 -173.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -147.28 171.77 14.9 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.825 1.65 . . . . 0.0 112.497 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -131.9 169.54 16.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.783 2.033 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -56.37 -34.32 66.56 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.644 -1.285 . . . . 0.0 112.277 169.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.0 tpt -62.25 -34.01 75.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.335 1.454 . . . . 0.0 113.26 171.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 m -70.73 -35.7 72.82 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.53 1.132 . . . . 0.0 113.82 -176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 m -139.19 89.74 2.37 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.417 1.087 . . . . 0.0 113.323 -169.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -64.41 127.46 31.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.187 0.995 . . . . 0.0 110.127 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 m -67.78 148.63 98.48 Favored Pre-proline 0 N--CA 1.473 0.683 0 O-C-N 121.478 -0.764 . . . . 0.0 112.166 -175.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.71 -41.89 59.56 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.465 2.776 . . . . 0.0 113.991 178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -64.73 -39.15 93.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.126 0.571 . . . . 0.0 112.129 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -67.93 -43.51 78.99 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.302 1.041 . . . . 0.0 111.837 177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -54.2 -50.59 66.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.053 0.941 . . . . 0.0 110.969 171.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -56.52 -55.6 31.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.674 1.19 . . . . 0.0 111.345 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.26 42.88 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.671 1.188 . . . . 0.0 112.826 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.93 -40.89 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.72 0.808 . . . . 0.0 111.345 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -57.33 -38.93 74.86 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.537 0.684 . . . . 0.0 111.228 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.74 -34.03 22.96 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.473 1.109 . . . . 0.0 112.03 -178.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.95 -43.51 86.43 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.715 1.206 . . . . 0.0 111.143 169.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.6 t -59.17 -43.45 92.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.963 1.305 . . . . 0.0 112.117 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -69.95 -34.37 73.33 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.969 0.908 . . . . 0.0 112.542 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.87 -53.38 53.36 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.114 0.965 . . . . 0.0 110.751 173.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.26 77.65 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.017 1.327 . . . . 0.0 114.053 172.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -55.8 -56.46 20.3 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.978 1.263 . . . . 0.0 111.388 171.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -65.17 -42.1 94.01 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.634 0.774 . . . . 0.0 112.479 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.07 -66.97 0.42 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.556 1.143 . . . . 0.0 111.448 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -69.65 -8.87 51.34 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 115.651 1.723 . . . . 0.0 115.651 -169.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.6 -5.2 59.3 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.868 1.267 . . . . 0.0 111.552 168.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.59 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.75 43.6 22.8 Favored Glycine 0 CA--C 1.522 0.524 1 C-N-CA 131.257 4.265 . . . . 0.0 115.141 -169.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -64.21 -34.93 79.22 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 123.775 0.83 . . . . 0.0 109.388 168.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.59 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 5.4 m-85 28.58 62.9 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 128.941 2.896 . . . . 0.0 111.451 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -139.11 -72.73 0.39 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.675 1.99 . . . . 0.0 109.705 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -78.25 -29.86 48.36 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.695 1.198 . . . . 0.0 113.441 177.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.51 2.58 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.98 2.112 . . . . 0.0 113.667 -171.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.71 -54.59 4.97 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.005 1.322 . . . . 0.0 113.29 178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -22.74 65.09 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.467 0.543 . . . . 0.0 112.467 -176.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.1 mt -76.07 -43.71 42.38 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.678 0.791 . . . . 0.0 110.726 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 19.9 m-85 -57.46 -47.27 82.28 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.508 -0.745 . . . . 0.0 112.842 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -69.44 -38.0 77.64 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -65.29 -42.85 92.68 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.975 1.262 . . . . 0.0 112.692 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.35 -56.36 7.03 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.532 1.533 . . . . 0.0 111.739 170.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.8 t -57.29 -43.85 82.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.417 1.487 . . . . 0.0 112.006 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.92 -48.98 60.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.762 1.225 . . . . 0.0 112.074 174.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -71.64 -45.55 61.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 118.14 -0.933 . . . . 0.0 112.63 176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.708 ' HB3' HD13 ' A' ' 62' ' ' ILE . 34.1 m-85 -53.37 -43.57 67.89 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 120.432 1.469 . . . . 0.0 112.823 177.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 49' ' ' VAL . 89.3 mt -70.45 -32.93 70.69 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 176.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -66.79 -30.29 70.46 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.509 0.559 . . . . 0.0 112.509 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.4 t -69.42 -58.57 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 120.864 -1.147 . . . . 0.0 109.74 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 46' ' ' LEU . 0.6 OUTLIER -65.3 -37.27 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 -169.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 ttmt -84.11 -24.8 30.14 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -124.5 -18.42 5.72 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -170.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -131.93 19.38 4.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.59 1.556 . . . . 0.0 114.183 -172.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.7 150.37 12.73 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.948 1.299 . . . . 0.0 113.979 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -147.34 101.68 3.4 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.931 1.292 . . . . 0.0 110.379 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.07 169.09 41.09 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 124.836 1.208 . . . . 0.0 113.194 -170.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -75.36 -70.07 0.44 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 112.918 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -62.18 -23.83 66.84 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.359 1.063 . . . . 0.0 113.824 -173.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.94 -30.31 63.92 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.874 1.27 . . . . 0.0 113.45 172.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -67.06 -50.17 62.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.671 1.188 . . . . 0.0 111.719 176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -56.74 -25.55 55.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.576 1.551 . . . . 0.0 113.466 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.1 t -52.54 -51.05 61.51 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.378 1.471 . . . . 0.0 113.123 176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.708 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -77.96 -29.85 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 CA-C-N 118.922 0.783 . . . . 0.0 112.552 177.175 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.24 -31.25 71.78 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.033 0.833 . . . . 0.0 111.618 -178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.58 -15.95 63.22 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.381 1.472 . . . . 0.0 114.922 171.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -111.91 -43.88 3.53 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.026 1.331 . . . . 0.0 114.47 176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.74 -36.99 75.21 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.639 1.109 . . . . 0.0 112.466 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.8 m -59.01 -30.23 67.84 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.317 1.847 . . . . 0.0 113.604 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.57 -35.41 18.13 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.408 1.004 . . . . 0.0 112.305 176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.66 -34.04 77.29 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.307 0.958 . . . . 0.0 113.309 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -69.84 -28.68 65.89 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 172.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.1 -39.74 25.18 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.6 1.16 . . . . 0.0 110.806 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -61.97 -30.41 70.91 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.716 1.607 . . . . 0.0 113.474 -177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.24 -31.87 69.47 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 171.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.49 -22.15 64.56 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.446 -1.409 . . . . 0.0 113.297 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -67.19 -38.68 85.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.141 0.976 . . . . 0.0 111.678 169.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -29.14 67.36 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -56.41 -19.39 14.72 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 114.589 1.329 . . . . 0.0 114.589 -170.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -66.29 0.59 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.16 0.984 . . . . 0.0 113.458 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -41.89 39.99 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.197 0.999 . . . . 0.0 112.306 -175.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.97 -35.35 78.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.572 1.549 . . . . 0.0 114.783 -172.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.394 1.878 . . . . 0.0 112.221 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.437 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.5 p -74.96 -11.64 60.16 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 125.049 1.34 . . . . 0.0 114.346 175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -61.63 153.9 26.62 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.41 1.484 . . . . 0.0 113.184 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.7 p80 -150.46 -30.46 0.2 Allowed 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 16.7 tpt -53.96 117.69 3.41 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.951 1.3 . . . . 0.0 111.553 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m 62.79 -24.39 0.06 Allowed 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 128.247 2.619 . . . . 0.0 115.968 -170.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.0 m -67.72 -36.23 80.22 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.794 1.637 . . . . 0.0 113.583 175.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -145.6 129.2 17.07 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.402 1.481 . . . . 0.0 111.291 -169.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.59 147.54 98.04 Favored Pre-proline 0 N--CA 1.474 0.769 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.9 -42.69 62.12 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 123.383 2.722 . . . . 0.0 114.08 175.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -66.89 -30.65 70.87 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.477 0.711 . . . . 0.0 112.898 175.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.03 -47.72 67.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.212 1.405 . . . . 0.0 110.152 173.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -55.79 -46.56 77.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.58 0.752 . . . . 0.0 111.577 172.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -53.75 -55.05 29.75 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.157 1.383 . . . . 0.0 111.018 172.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.2 -47.67 35.25 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.493 1.117 . . . . 0.0 112.634 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mt -71.71 -42.94 70.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.067 0.947 . . . . 0.0 111.454 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.03 -39.25 74.43 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.41 0.624 . . . . 0.0 111.082 178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -33.67 24.78 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.328 1.051 . . . . 0.0 111.809 -178.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.84 90.85 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.762 1.225 . . . . 0.0 111.212 169.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -60.06 -42.63 94.93 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.041 1.336 . . . . 0.0 111.975 173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -70.32 -32.42 70.15 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.387 1.075 . . . . 0.0 112.814 177.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.509 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.89 -52.28 61.01 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.765 1.226 . . . . 0.0 110.771 174.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.35 -38.6 80.8 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.447 1.499 . . . . 0.0 113.617 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -60.44 -38.99 85.88 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.783 1.174 . . . . 0.0 112.758 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -74.25 -49.82 21.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -57.78 -64.25 0.97 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.303 1.441 . . . . 0.0 111.009 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 10.7 mmmt -70.24 -7.83 45.29 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -170.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.18 -5.49 58.96 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 125.109 1.364 . . . . 0.0 111.675 169.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.18 42.37 31.86 Favored Glycine 0 CA--C 1.522 0.512 1 C-N-CA 131.126 4.203 . . . . 0.0 115.418 -169.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -65.05 -37.71 88.47 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 168.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.86 54.88 0.95 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 128.319 2.647 . . . . 0.0 111.385 -176.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -131.54 -75.63 0.52 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.665 1.586 . . . . 0.0 110.132 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -77.65 -23.31 49.72 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.273 1.029 . . . . 0.0 113.361 176.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.66 -60.83 1.81 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.324 1.85 . . . . 0.0 113.431 -176.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.93 -54.79 5.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.116 1.367 . . . . 0.0 113.113 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.72 -21.48 63.47 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.37 -46.18 50.51 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.571 1.078 . . . . 0.0 110.967 170.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.509 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.6 m-85 -56.13 -45.91 79.4 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.296 0.85 . . . . 0.0 113.296 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.37 -39.85 77.79 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -66.6 -39.14 88.24 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.105 1.321 . . . . 0.0 112.916 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.19 -56.63 7.43 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.791 1.237 . . . . 0.0 111.451 169.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.95 -43.31 84.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.751 1.62 . . . . 0.0 111.69 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -51.48 -54.8 23.3 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.2 1.0 . . . . 0.0 111.385 175.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -65.02 -48.21 74.72 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 118.201 -0.904 . . . . 0.0 112.868 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.528 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.0 m-85 -49.37 -51.3 35.68 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.899 1.227 . . . . 0.0 112.329 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.64 -45.11 80.09 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.141 0.976 . . . . 0.0 112.706 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.03 -24.62 66.78 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.475 1.034 . . . . 0.0 112.531 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 77.2 t -79.64 -60.44 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 121.234 -0.916 . . . . 0.0 110.518 169.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.0 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -169.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -67.95 -17.06 64.33 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.965 -1.085 . . . . 0.0 113.335 178.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -121.73 -36.25 3.07 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -169.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -134.04 15.24 3.88 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 -169.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 163.27 7.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 172.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -144.11 160.35 41.06 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.274 2.23 . . . . 0.0 110.091 169.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 65.55 -164.3 38.33 Favored Glycine 0 CA--C 1.538 1.52 0 C-N-CA 123.651 0.643 . . . . 0.0 113.558 -173.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.5 -76.94 0.58 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.674 1.189 . . . . 0.0 112.126 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -18.51 65.41 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -169.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.49 63.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.366 1.066 . . . . 0.0 113.275 170.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -69.26 -55.19 11.25 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.871 1.268 . . . . 0.0 110.752 170.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -56.25 -30.62 62.65 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.653 1.581 . . . . 0.0 113.405 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.1 m -51.93 -41.26 61.89 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.836 1.254 . . . . 0.0 113.712 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.528 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -82.6 -33.74 11.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 119.567 1.076 . . . . 0.0 112.948 172.403 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.6 mtp-105 -58.61 -42.32 87.89 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.398 0.999 . . . . 0.0 111.542 -176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.37 -41.99 77.09 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.872 1.269 . . . . 0.0 113.616 174.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -85.45 -45.32 11.95 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 p -58.88 -37.49 76.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.024 -1.048 . . . . 0.0 112.425 -178.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 99.5 m -60.45 -28.49 68.35 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.865 1.666 . . . . 0.0 113.095 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -84.3 -43.75 14.49 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.352 -0.843 . . . . 0.0 111.246 173.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -60.68 -33.65 73.15 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.139 -0.976 . . . . 0.0 113.449 -175.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.62 -24.26 61.85 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -87.35 -36.99 17.51 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.712 1.205 . . . . 0.0 111.141 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -60.55 -31.29 70.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.031 1.333 . . . . 0.0 112.883 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.86 -31.47 72.44 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 175.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -65.42 -27.87 68.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 120.973 -1.079 . . . . 0.0 112.818 -178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -38.43 70.49 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.358 1.063 . . . . 0.0 112.359 174.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -53.81 -23.37 11.98 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -61.59 -38.55 87.99 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 174.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.71 -28.44 6.37 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.575 1.15 . . . . 0.0 113.3 -175.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -52.01 19.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.26 1.424 . . . . 0.0 112.057 169.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 60.8 mttm . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.285 1.834 . . . . 0.0 113.03 -175.289 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.907 -0.477 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -143.82 175.84 9.7 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.904 1.681 . . . . 0.0 112.401 -179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -140.88 159.95 41.11 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.952 1.701 . . . . 0.0 111.305 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -60.87 -19.53 60.29 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.984 1.476 . . . . 0.0 114.984 177.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 77.5 mtm -76.74 31.08 0.13 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.255 1.822 . . . . 0.0 113.087 170.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -58.58 -15.37 11.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.479 1.912 . . . . 0.0 115.728 -174.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.9 m -62.45 -28.76 70.03 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.804 1.242 . . . . 0.0 113.212 169.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.0 m -73.56 122.12 21.72 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.556 1.143 . . . . 0.0 109.754 170.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.3 m -69.0 153.71 95.83 Favored Pre-proline 0 N--CA 1.472 0.665 0 C-N-CA 122.943 0.497 . . . . 0.0 112.065 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -63.22 -35.76 61.39 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.237 1.958 . . . . 0.0 112.099 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -63.47 -35.41 80.34 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.722 0.809 . . . . 0.0 112.538 171.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -67.49 -44.06 79.43 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.76 0.824 . . . . 0.0 111.475 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -57.14 -49.7 75.1 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.523 0.729 . . . . 0.0 111.544 171.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? -54.81 -53.31 56.93 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.546 1.538 . . . . 0.0 111.352 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.23 -47.04 46.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.827 1.251 . . . . 0.0 112.895 -178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.6 mt -70.99 -41.85 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 124.029 0.932 . . . . 0.0 111.036 -179.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.9 -39.05 80.31 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.331 0.586 . . . . 0.0 111.269 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.31 -34.56 25.68 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.313 1.045 . . . . 0.0 111.969 -178.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.92 -44.03 91.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.044 1.338 . . . . 0.0 111.713 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.5 t -57.48 -43.96 84.51 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.591 1.156 . . . . 0.0 111.834 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -71.7 -34.31 69.5 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.866 0.866 . . . . 0.0 112.81 177.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -52.77 -55.06 25.59 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.542 1.137 . . . . 0.0 110.538 175.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -38.17 78.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.372 1.469 . . . . 0.0 113.983 171.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -60.03 -43.85 95.03 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 119.652 1.115 . . . . 0.0 112.57 174.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -70.4 -46.33 64.21 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.307 1.043 . . . . 0.0 112.237 175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.87 -65.92 0.53 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.358 1.463 . . . . 0.0 111.485 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.5 mmmt -69.98 -7.18 38.65 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.391 1.626 . . . . 0.0 115.391 -171.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -86.95 -5.24 59.15 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 124.84 1.256 . . . . 0.0 111.327 168.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.601 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.43 42.73 26.63 Favored Glycine 0 C--N 1.334 0.425 1 C-N-CA 131.263 4.268 . . . . 0.0 115.499 -169.471 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -65.91 -36.57 83.74 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 168.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.601 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.0 m-85 35.16 54.97 0.78 Allowed 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 128.61 2.764 . . . . 0.0 111.19 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -132.94 -78.96 0.49 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.45 1.5 . . . . 0.0 110.391 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -71.42 -26.42 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.125 0.97 . . . . 0.0 113.143 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.29 -59.45 2.65 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.253 1.821 . . . . 0.0 113.025 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.3 -54.65 5.58 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.425 1.09 . . . . 0.0 113.797 179.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -68.88 -21.27 64.26 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 91.2 mt -73.59 -45.71 51.58 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.043 0.838 . . . . 0.0 110.901 170.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -57.55 -44.54 85.31 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.99 -42.99 84.13 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -64.9 -39.81 94.11 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 119.716 1.144 . . . . 0.0 113.109 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.47 -59.33 2.48 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.036 1.334 . . . . 0.0 112.113 169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.68 -30.2 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -47.23 64.25 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.784 0.72 . . . . 0.0 110.436 173.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -70.92 -51.53 25.48 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 117.65 -1.167 . . . . 0.0 113.226 174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HB3' HD13 ' A' ' 62' ' ' ILE . 38.0 m-85 -51.09 -46.36 61.79 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 120.965 1.712 . . . . 0.0 112.828 -179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.1 mt -70.77 -37.09 73.35 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.082 0.953 . . . . 0.0 112.934 178.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -68.06 -27.87 66.88 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.04 1.291 . . . . 0.0 113.564 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.8 t -69.79 -60.01 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.41 -0.806 . . . . 0.0 109.495 170.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.26 -57.32 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -61.4 -18.97 61.29 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -169.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -123.63 -29.13 3.78 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.132 1.373 . . . . 0.0 114.018 -172.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -137.84 21.06 2.86 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -169.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.35 152.07 9.03 Favored 'General case' 0 CA--C 1.549 0.921 0 O-C-N 120.73 -1.231 . . . . 0.0 113.528 169.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -135.93 102.0 4.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.829 1.652 . . . . 0.0 110.801 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 106.16 174.7 23.51 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.621 1.581 . . . . 0.0 114.059 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -68.98 -70.31 0.28 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.429 1.092 . . . . 0.0 112.765 -175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.0 tptt -68.44 -21.63 64.63 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.921 1.288 . . . . 0.0 114.139 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.32 -43.3 64.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.223 1.409 . . . . 0.0 113.827 -171.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -57.39 -31.64 66.02 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -84.38 -13.12 53.15 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.66 1.184 . . . . 0.0 113.49 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.6 p -60.17 -57.25 13.6 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 121.163 -0.961 . . . . 0.0 113.053 -179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.8 pp -72.16 -18.96 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mmm-85 -56.65 -36.05 69.08 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 119.987 1.267 . . . . 0.0 112.032 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.85 -14.45 53.25 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.467 1.507 . . . . 0.0 114.504 174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -49.12 3.03 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.368 1.467 . . . . 0.0 113.679 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.34 -38.73 81.09 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.518 1.054 . . . . 0.0 112.876 -177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 61.1 m -63.5 -26.67 68.82 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.178 0.991 . . . . 0.0 112.92 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -80.54 -42.56 22.18 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.375 -0.828 . . . . 0.0 111.684 170.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -63.12 -33.72 76.05 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.391 0.996 . . . . 0.0 113.392 -171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.52 -19.75 62.14 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 172.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.27 -31.23 12.53 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.455 1.502 . . . . 0.0 111.8 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmm-85 -61.82 -31.33 71.56 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.388 1.475 . . . . 0.0 112.225 174.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.98 79.95 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.387 1.075 . . . . 0.0 112.713 171.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.46 -26.75 66.54 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.803 -1.186 . . . . 0.0 112.85 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -71.0 -38.82 72.68 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.715 0.806 . . . . 0.0 112.527 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.65 -30.74 67.56 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.519 1.528 . . . . 0.0 113.372 176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -54.71 -16.65 2.66 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.213 1.405 . . . . 0.0 114.768 -176.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.83 -44.72 80.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.286 1.034 . . . . 0.0 113.464 171.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -115.71 -18.74 10.76 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.014 1.326 . . . . 0.0 114.227 -170.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.02 -31.64 42.27 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.146 1.378 . . . . 0.0 112.763 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 53.0 mttp . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.799 1.639 . . . . 0.0 113.626 178.349 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 m -63.74 157.5 24.1 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.707 1.203 . . . . 0.0 112.846 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -84.35 -19.17 34.09 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 -177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -67.92 95.82 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.522 1.129 . . . . 0.0 113.432 -171.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 82.6 mtp 58.8 15.07 3.57 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.06 2.144 . . . . 0.0 115.461 173.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.9 m -62.45 98.0 0.11 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 126.657 1.983 . . . . 0.0 112.654 -177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 47.6 m 62.84 -57.29 0.15 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 128.813 2.845 . . . . 0.0 114.732 -174.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 43.9 m -66.18 128.59 36.69 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.773 1.629 . . . . 0.0 110.617 174.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.3 m -68.21 148.88 98.28 Favored Pre-proline 0 N--CA 1.47 0.545 0 C-N-CA 123.798 0.839 . . . . 0.0 111.716 -178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.96 -29.23 75.64 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 122.438 2.092 . . . . 0.0 113.373 -174.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -62.55 -43.3 99.15 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.925 0.89 . . . . 0.0 112.251 173.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 71.8 mt -64.89 -49.32 70.94 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 123.666 0.786 . . . . 0.0 111.274 172.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.35 -46.59 66.19 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.12 0.418 . . . . 0.0 111.925 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.8 tmtm? -57.31 -59.39 5.19 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.953 1.301 . . . . 0.0 111.03 171.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.51 -45.96 47.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.181 0.992 . . . . 0.0 112.984 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.15 -38.79 49.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.238 1.015 . . . . 0.0 111.371 -178.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.79 -41.11 90.45 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.941 0.791 . . . . 0.0 110.77 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.34 -33.38 43.11 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.879 0.872 . . . . 0.0 111.235 -178.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.66 -44.78 93.43 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.661 1.185 . . . . 0.0 111.163 169.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -60.07 -42.45 94.56 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.944 1.298 . . . . 0.0 111.933 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -65.48 -39.85 92.43 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.599 1.159 . . . . 0.0 112.049 175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.458 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.93 -54.64 31.87 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.161 1.384 . . . . 0.0 110.85 176.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.45 -36.89 76.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 113.98 174.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.03 -55.96 27.99 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 119.907 1.231 . . . . 0.0 111.182 171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -65.06 -41.22 95.33 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.538 0.735 . . . . 0.0 112.793 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -58.35 -66.64 0.45 Allowed 'General case' 0 C--O 1.223 -0.304 0 C-N-CA 124.885 1.274 . . . . 0.0 111.338 172.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -69.84 -7.22 38.15 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -170.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.57 -5.2 58.86 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 125.424 1.49 . . . . 0.0 111.469 169.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.606 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.56 43.06 27.96 Favored Glycine 0 CA--C 1.521 0.464 1 C-N-CA 131.449 4.357 . . . . 0.0 115.586 -169.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -67.54 -36.31 80.76 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 168.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.606 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.3 m-85 36.74 53.16 1.07 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 128.169 2.588 . . . . 0.0 111.433 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -131.15 -78.21 0.52 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.383 1.473 . . . . 0.0 110.358 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.66 -25.07 60.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.376 1.07 . . . . 0.0 113.066 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.24 -59.38 2.68 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.848 2.059 . . . . 0.0 113.192 -174.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.06 -54.73 6.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -66.24 -27.15 67.74 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.406 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 98.8 mt -68.6 -44.11 75.02 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.594 -0.691 . . . . 0.0 111.002 172.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.458 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.3 m-85 -56.96 -51.18 70.21 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.201 -0.937 . . . . 0.0 112.805 176.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.32 -35.82 73.89 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -65.28 -40.4 93.83 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.418 1.463 . . . . 0.0 112.63 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.1 -55.68 16.48 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.809 1.244 . . . . 0.0 111.565 169.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.7 t -56.08 -43.58 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 125.747 1.619 . . . . 0.0 111.928 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -48.91 -51.79 28.11 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.66 174.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -71.56 -45.01 63.49 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.772 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.597 ' HB3' HD13 ' A' ' 62' ' ' ILE . 29.2 m-85 -51.99 -48.67 64.31 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.826 1.194 . . . . 0.0 112.637 177.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.52 -38.45 87.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.756 0.822 . . . . 0.0 112.539 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -65.13 -28.4 69.4 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.463 1.028 . . . . 0.0 112.582 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 98.3 t -74.26 -60.43 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 O-C-N 121.144 -0.972 . . . . 0.0 110.2 171.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.1 t -74.46 -34.74 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -68.25 -21.51 64.81 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.102 1.319 . . . . 0.0 113.09 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -123.46 -29.16 3.82 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -169.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -130.56 22.45 5.09 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 125.416 1.486 . . . . 0.0 114.276 -169.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.55 154.73 8.23 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.33 1.052 . . . . 0.0 113.735 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -146.22 131.4 18.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.613 1.565 . . . . 0.0 110.555 175.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.29 169.6 32.35 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.252 1.406 . . . . 0.0 114.524 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -72.48 152.15 42.09 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.31 1.044 . . . . 0.0 112.246 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.7 tptt 57.91 -21.13 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 130.016 3.326 . . . . 0.0 117.704 176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 -21.33 25.34 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 127.091 2.156 . . . . 0.0 115.515 -172.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -54.86 -40.22 69.46 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.968 1.707 . . . . 0.0 112.441 171.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -59.82 -26.02 65.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.277 1.431 . . . . 0.0 113.436 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 m -56.95 -43.92 82.05 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.447 1.499 . . . . 0.0 113.796 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.7 OUTLIER -82.72 -32.51 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 119.184 0.902 . . . . 0.0 112.883 171.08 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -58.46 -36.67 74.05 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.576 1.08 . . . . 0.0 111.483 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.94 -17.24 61.63 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.015 1.726 . . . . 0.0 114.89 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 -42.19 3.49 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.835 1.254 . . . . 0.0 114.23 177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -59.73 -37.05 77.87 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.877 -1.14 . . . . 0.0 111.96 178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -63.55 -22.0 66.65 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -90.14 -37.06 14.46 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.279 0.945 . . . . 0.0 111.223 172.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.21 -36.2 83.3 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.357 -0.839 . . . . 0.0 113.054 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.68 -27.53 61.28 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 172.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -79.71 -45.72 18.43 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.624 1.17 . . . . 0.0 110.823 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -65.4 -30.27 71.06 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.256 1.022 . . . . 0.0 113.507 -176.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.8 -29.75 69.65 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.836 0.854 . . . . 0.0 113.205 171.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -65.53 -30.12 70.84 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.328 -1.483 . . . . 0.0 112.645 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.14 -38.43 60.99 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.462 1.105 . . . . 0.0 111.789 175.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -38.17 62.39 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.978 1.311 . . . . 0.0 113.034 174.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -57.63 -15.68 8.27 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.31 -42.91 99.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.035 0.934 . . . . 0.0 113.134 169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.34 -30.34 8.38 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.101 1.36 . . . . 0.0 112.708 -176.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -42.47 60.99 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.882 1.273 . . . . 0.0 112.279 173.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 29.2 tptp . . . . . 0 C--O 1.253 1.256 0 C-N-CA 126.812 2.045 . . . . 0.0 113.23 -178.045 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.563 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p -74.51 -16.4 60.84 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.068 1.507 . . . . 0.0 115.068 -178.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 61.75 -19.75 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.958 2.903 . . . . 0.0 116.165 -175.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -74.4 -5.7 43.93 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.296 1.838 . . . . 0.0 114.865 177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.1 112.85 1.66 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.278 1.431 . . . . 0.0 112.357 178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -72.54 174.84 6.92 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.102 1.361 . . . . 0.0 113.25 179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.8 m -66.29 169.25 7.49 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.549 1.939 . . . . 0.0 113.713 177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 21.1 m -137.18 148.48 46.61 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.613 1.965 . . . . 0.0 109.679 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.9 p -68.54 149.01 98.13 Favored Pre-proline 0 N--CA 1.475 0.825 0 CA-C-N 119.104 0.865 . . . . 0.0 112.612 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -52.4 -40.04 72.1 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.353 2.702 . . . . 0.0 114.195 177.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -66.1 -47.22 74.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.901 0.88 . . . . 0.0 112.06 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -66.52 -39.5 88.66 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.571 0.748 . . . . 0.0 112.009 177.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -56.46 -48.57 76.79 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.346 0.658 . . . . 0.0 111.422 170.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -56.2 -49.36 74.3 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.549 0.74 . . . . 0.0 111.466 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.424 ' HB1' ' CE1' ' A' ' 45' ' ' PHE . . . -49.49 -47.86 48.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.325 0.65 . . . . 0.0 112.535 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.5 mt -75.89 -44.65 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.226 1.01 . . . . 0.0 111.37 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -49.76 -42.36 46.21 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.066 1.346 . . . . 0.0 111.478 173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.99 -30.11 20.25 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.806 0.843 . . . . 0.0 112.338 -177.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.09 93.83 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.845 1.202 . . . . 0.0 110.722 169.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 t -59.46 -44.33 93.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.325 1.45 . . . . 0.0 112.063 172.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -40.46 96.74 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.796 1.238 . . . . 0.0 111.973 176.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -54.55 -55.89 24.57 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.632 1.573 . . . . 0.0 110.988 176.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.56 -38.8 78.61 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.207 1.403 . . . . 0.0 113.341 173.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -60.0 -44.63 94.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 119.052 0.842 . . . . 0.0 112.523 175.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -69.19 -49.37 57.21 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.299 1.039 . . . . 0.0 112.559 174.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -54.56 -66.04 0.47 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.8 1.64 . . . . 0.0 111.589 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -69.97 -7.15 38.32 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -171.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.11 -4.83 58.71 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.106 1.362 . . . . 0.0 111.326 169.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.593 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.3 42.04 24.72 Favored Glycine 0 CA--C 1.521 0.427 1 C-N-CA 131.407 4.336 . . . . 0.0 115.486 -169.433 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -64.88 -37.67 88.42 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 168.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.5 m-85 36.71 55.3 1.16 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.129 2.572 . . . . 0.0 111.14 -177.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -121.95 -83.46 0.66 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.953 1.301 . . . . 0.0 111.105 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -82.97 -11.02 58.49 Favored 'General case' 0 N--CA 1.477 0.923 0 O-C-N 121.077 -1.014 . . . . 0.0 113.66 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.52 -55.88 5.73 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.872 1.669 . . . . 0.0 112.208 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.55 -54.93 4.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.121 1.368 . . . . 0.0 113.952 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -70.46 -29.47 66.03 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.479 0.581 . . . . 0.0 112.205 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 96.8 mt -64.92 -43.28 93.32 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.147 0.885 . . . . 0.0 110.835 175.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.439 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 13.7 m-85 -57.35 -49.76 75.11 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.347 -0.845 . . . . 0.0 112.786 175.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -71.01 -35.41 72.04 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -63.37 -43.14 98.48 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 120.258 1.39 . . . . 0.0 112.422 178.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -50.09 -54.9 17.39 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.078 1.351 . . . . 0.0 111.678 170.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -57.06 -42.95 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.693 1.597 . . . . 0.0 111.824 176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -53.54 32.7 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.557 1.143 . . . . 0.0 111.827 173.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -65.2 -50.17 66.91 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.206 0.912 . . . . 0.0 112.517 176.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.513 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -49.61 -51.54 36.75 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.774 1.17 . . . . 0.0 112.361 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.31 -40.93 73.91 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.904 0.882 . . . . 0.0 112.863 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -65.86 -27.18 68.04 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.127 1.33 . . . . 0.0 112.316 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 91.8 t -76.29 -60.65 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 O-C-N 121.263 -0.898 . . . . 0.0 110.858 169.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.0 t -73.38 -37.63 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -169.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -63.78 -16.79 62.11 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-N 120.129 1.331 . . . . 0.0 113.095 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -119.85 -33.67 3.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.749 1.62 . . . . 0.0 113.623 -171.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -132.05 24.01 4.56 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.46 107.97 0.26 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.619 1.168 . . . . 0.0 113.194 170.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -78.69 101.87 7.75 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.564 1.146 . . . . 0.0 111.126 177.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.35 170.44 45.14 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.361 1.458 . . . . 0.0 114.421 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -69.18 154.67 41.67 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.378 1.071 . . . . 0.0 112.65 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.3 tptm 57.21 -21.17 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 130.284 3.434 . . . . 0.0 117.433 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.73 -29.51 39.76 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.539 1.936 . . . . 0.0 114.359 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -52.62 -30.57 32.08 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.114 1.766 . . . . 0.0 114.814 173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -22.12 66.85 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 0.0 112.448 -177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -53.37 -47.29 69.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.846 1.259 . . . . 0.0 113.398 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 45' ' ' PHE . 1.0 OUTLIER -82.93 -26.97 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 117.843 -1.075 . . . . 0.0 113.603 170.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.21 -36.86 71.39 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 120.858 1.663 . . . . 0.0 111.677 176.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.22 11.54 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.082 1.753 . . . . 0.0 114.73 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.68 -45.34 2.05 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.186 1.394 . . . . 0.0 114.498 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 10.2 p -58.68 -39.65 81.3 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.846 -1.159 . . . . 0.0 112.552 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 41.3 m -61.2 -28.47 69.17 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.359 1.864 . . . . 0.0 113.026 178.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.49 -38.3 18.74 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.608 -0.682 . . . . 0.0 112.23 172.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -63.76 -35.48 80.72 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.374 0.988 . . . . 0.0 113.212 -175.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.12 -23.24 62.99 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 173.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -91.82 -36.18 13.67 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.691 1.196 . . . . 0.0 111.313 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -61.12 -31.15 70.85 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.697 1.599 . . . . 0.0 112.643 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.44 -26.61 68.03 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.216 1.406 . . . . 0.0 113.713 173.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -66.41 -29.64 69.84 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 120.457 -1.402 . . . . 0.0 112.412 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -38.53 68.21 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.561 1.144 . . . . 0.0 112.09 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -35.56 68.08 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.481 1.112 . . . . 0.0 112.964 175.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -59.61 -8.79 2.14 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -70.73 -35.56 72.75 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 169.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.83 -31.18 4.27 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.339 1.056 . . . . 0.0 113.554 -172.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -53.24 6.0 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.257 1.823 . . . . 0.0 112.41 173.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 129.232 3.013 . . . . 0.0 114.499 -175.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.518 0 N-CA-C 111.905 -0.478 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 t -68.49 163.12 24.12 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.348 1.059 . . . . 0.0 112.864 177.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -123.66 0.45 8.73 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 127.009 2.123 . . . . 0.0 113.532 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -62.87 136.65 57.96 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.545 1.138 . . . . 0.0 111.805 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 64.3 mtt -69.82 164.1 24.38 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.409 1.084 . . . . 0.0 112.581 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -72.31 162.26 29.71 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.369 1.068 . . . . 0.0 112.7 171.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 m -74.56 -24.58 58.95 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 m -72.22 110.36 6.61 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.209 1.004 . . . . 0.0 112.087 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.9 m -68.26 153.37 95.62 Favored Pre-proline 0 N--CA 1.472 0.658 0 O-C-N 121.765 -0.585 . . . . 0.0 112.518 177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -51.51 -35.9 57.5 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.809 3.006 . . . . 0.0 114.696 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -62.94 -46.66 86.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.68 0.792 . . . . 0.0 111.402 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.6 tp -65.96 -40.65 91.48 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.808 1.243 . . . . 0.0 112.097 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.49 -52.62 61.33 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.888 0.875 . . . . 0.0 111.079 171.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -59.34 -48.18 82.61 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 111.789 176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.11 -46.72 45.26 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.979 0.912 . . . . 0.0 112.661 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.5 mt -74.93 -45.45 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.272 1.029 . . . . 0.0 111.24 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -50.09 -40.85 46.94 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.59 1.156 . . . . 0.0 111.795 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -33.36 17.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.813 0.845 . . . . 0.0 111.966 -174.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.16 82.63 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.884 1.274 . . . . 0.0 111.949 169.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.9 t -57.65 -38.77 75.62 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.831 1.252 . . . . 0.0 112.155 175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -80.48 -27.93 37.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 126.089 1.756 . . . . 0.0 113.893 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -52.48 -51.2 60.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.514 1.126 . . . . 0.0 111.348 173.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -37.1 75.72 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.327 1.451 . . . . 0.0 113.789 172.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -61.97 -41.43 97.99 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.331 0.968 . . . . 0.0 112.299 175.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -71.93 -47.47 52.28 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.67 0.788 . . . . 0.0 112.291 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -56.98 -66.11 0.51 Allowed 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.86 1.664 . . . . 0.0 111.792 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -69.61 -7.4 38.46 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -171.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.03 -5.65 58.99 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.19 1.396 . . . . 0.0 111.553 169.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.625 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.68 43.45 37.65 Favored Glycine 0 CA--C 1.521 0.436 1 C-N-CA 131.148 4.214 . . . . 0.0 115.711 -169.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.6 -34.85 77.85 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.315 0.646 . . . . 0.0 109.409 168.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.625 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.8 m-85 34.27 53.92 0.58 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 128.845 2.858 . . . . 0.0 112.307 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -133.76 -75.83 0.48 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.635 1.574 . . . . 0.0 109.646 176.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.58 -27.18 63.92 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.655 1.182 . . . . 0.0 113.305 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.38 -60.54 2.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.936 1.694 . . . . 0.0 113.088 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.27 -54.78 5.42 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.555 1.142 . . . . 0.0 113.121 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.86 -28.53 67.62 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 118.948 -0.548 . . . . 0.0 112.219 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 64.0 mt -67.55 -42.86 82.0 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.554 1.07 . . . . 0.0 111.054 173.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.475 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 16.5 m-85 -59.15 -45.3 91.33 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.011 -1.055 . . . . 0.0 113.226 176.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -76.64 -37.02 57.0 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -64.15 -38.57 91.54 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.451 1.478 . . . . 0.0 111.967 -179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.07 -59.56 2.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.96 1.704 . . . . 0.0 111.475 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 2.9 m -68.19 -31.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -50.12 45.71 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.005 0.82 . . . . 0.0 110.712 171.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -71.8 -49.45 38.52 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 117.755 -1.116 . . . . 0.0 112.844 176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' HB3' HD13 ' A' ' 62' ' ' ILE . 32.1 m-85 -50.43 -48.37 56.35 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.586 1.539 . . . . 0.0 112.741 178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.86 -46.16 83.03 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.675 1.19 . . . . 0.0 112.632 176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -67.3 -20.8 65.67 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 119.865 1.212 . . . . 0.0 114.013 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 82.3 t -77.82 -60.2 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.855 0.862 . . . . 0.0 109.528 169.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 t -74.04 -39.84 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 -169.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -64.36 -17.47 63.75 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.763 1.165 . . . . 0.0 113.221 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -124.11 -35.98 2.75 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -170.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -134.21 20.17 3.72 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 -169.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.81 157.77 7.13 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.973 -1.079 . . . . 0.0 113.899 169.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -135.86 101.84 4.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.849 1.66 . . . . 0.0 110.451 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 78.39 177.62 48.64 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 124.644 1.116 . . . . 0.0 113.905 -174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -66.44 -59.57 3.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.878 1.271 . . . . 0.0 113.594 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.7 -23.21 66.09 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -169.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.02 -24.95 66.56 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.078 0.951 . . . . 0.0 112.95 169.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -84.17 -54.44 4.82 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.849 1.26 . . . . 0.0 109.19 175.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -55.38 -37.5 67.64 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.39 1.476 . . . . 0.0 112.94 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.3 t -52.7 -52.89 54.16 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.553 1.141 . . . . 0.0 112.723 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.508 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -76.65 -34.21 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-N 119.087 0.858 . . . . 0.0 112.629 178.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -58.75 -39.13 80.05 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.594 1.088 . . . . 0.0 111.449 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.38 -18.0 65.1 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -39.46 4.73 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 177.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.1 p -58.0 -40.11 79.93 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.072 -1.017 . . . . 0.0 112.068 177.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.1 m -58.78 -30.9 67.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.778 1.231 . . . . 0.0 113.054 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -83.18 -37.87 23.08 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.357 -0.84 . . . . 0.0 112.093 174.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -65.0 -35.42 81.12 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.797 1.18 . . . . 0.0 113.504 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.61 -26.27 61.62 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.798 -1.189 . . . . 0.0 113.769 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -82.91 -41.01 19.4 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.434 1.094 . . . . 0.0 111.077 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -66.3 -18.46 65.37 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.547 1.139 . . . . 0.0 113.914 -178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.73 -29.55 67.99 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.086 0.857 . . . . 0.0 112.979 169.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -64.48 -24.27 67.56 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 120.8 -1.188 . . . . 0.0 112.393 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.9 -38.99 90.42 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.237 1.815 . . . . 0.0 112.772 173.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.81 -20.98 57.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -58.07 -17.98 21.6 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -169.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -65.08 -65.58 0.65 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.573 1.149 . . . . 0.0 112.338 169.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.89 -34.14 24.62 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.518 1.127 . . . . 0.0 113.651 -173.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.44 -49.68 44.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.64 1.176 . . . . 0.0 112.728 176.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt . . . . . 0 C--O 1.253 1.267 0 C-N-CA 126.702 2.001 . . . . 0.0 113.505 -172.894 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.741 -0.544 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -64.11 -27.03 68.81 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.867 1.267 . . . . 0.0 114.293 -176.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.08 90.12 3.05 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.884 1.274 . . . . 0.0 110.957 171.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -61.98 150.63 37.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.255 1.022 . . . . 0.0 112.743 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 55.1 tpp -74.55 86.95 2.1 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.776 1.23 . . . . 0.0 111.687 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -73.45 176.32 6.19 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.284 1.433 . . . . 0.0 112.825 175.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.1 m 58.92 -173.36 0.1 Allowed 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.357 2.263 . . . . 0.0 114.735 -178.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 38.5 m -133.81 164.67 26.73 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.154 2.182 . . . . 0.0 110.012 -174.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.4 m -66.21 136.27 95.24 Favored Pre-proline 0 N--CA 1.474 0.763 0 O-C-N 121.198 -0.939 . . . . 0.0 110.749 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -63.93 -35.7 53.8 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.738 2.292 . . . . 0.0 113.401 -169.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -65.29 -41.82 93.74 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.753 -0.592 . . . . 0.0 112.042 174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.0 tp -65.59 -42.68 91.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.775 0.83 . . . . 0.0 111.753 176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -56.44 -51.03 69.95 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.356 0.662 . . . . 0.0 111.373 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -57.15 -47.41 81.23 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.666 0.786 . . . . 0.0 111.703 176.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.79 -47.3 51.3 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.627 0.771 . . . . 0.0 112.716 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -76.21 -44.92 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.176 0.991 . . . . 0.0 111.052 -178.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.76 -41.61 56.88 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.802 1.241 . . . . 0.0 111.702 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.62 -30.23 20.62 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.011 0.924 . . . . 0.0 112.389 -178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.34 92.81 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.82 1.191 . . . . 0.0 111.02 169.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.4 t -59.02 -42.85 91.16 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.168 1.387 . . . . 0.0 112.018 172.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -66.99 -37.84 84.95 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.827 1.251 . . . . 0.0 112.591 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.12 -55.84 23.82 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.219 1.408 . . . . 0.0 110.783 177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.98 -36.27 72.37 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.536 1.535 . . . . 0.0 114.011 173.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -57.1 -58.73 6.9 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.642 1.11 . . . . 0.0 111.17 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -65.61 -39.28 91.35 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.225 0.61 . . . . 0.0 112.569 -177.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -57.75 -68.0 0.28 Allowed 'General case' 0 C--O 1.223 -0.299 0 C-N-CA 125.104 1.361 . . . . 0.0 111.561 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -8.01 34.43 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -174.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.34 -5.68 59.29 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.954 1.302 . . . . 0.0 111.522 169.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.609 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 49.22 41.05 30.45 Favored Glycine 0 CA--C 1.523 0.543 1 C-N-CA 131.285 4.279 . . . . 0.0 116.085 -169.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -64.87 -36.92 85.9 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.609 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 6.9 m-85 35.71 54.85 0.91 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 128.183 2.593 . . . . 0.0 111.521 -178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -136.24 -74.64 0.44 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.616 1.566 . . . . 0.0 110.143 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.93 -28.18 63.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.319 1.047 . . . . 0.0 113.257 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.15 -59.72 2.48 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.549 1.94 . . . . 0.0 113.049 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -54.72 5.09 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.709 1.204 . . . . 0.0 113.611 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -67.61 -29.8 69.23 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 93.5 mt -66.6 -42.59 86.68 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.171 0.896 . . . . 0.0 110.93 175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 15.0 m-85 -57.69 -49.06 77.78 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.282 -0.886 . . . . 0.0 112.814 175.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -70.81 -36.81 73.14 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 176.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -62.54 -43.63 98.33 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.206 1.367 . . . . 0.0 112.479 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.56 -55.32 13.88 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.244 1.417 . . . . 0.0 111.928 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.7 t -58.66 -42.0 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 125.31 1.444 . . . . 0.0 111.707 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -53.28 24.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.752 1.221 . . . . 0.0 111.483 174.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.25 -45.58 62.92 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.117 -0.944 . . . . 0.0 113.15 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.626 ' HB3' HD13 ' A' ' 62' ' ' ILE . 25.0 m-85 -49.86 -50.83 44.17 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.996 1.271 . . . . 0.0 112.453 176.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.82 -39.93 79.79 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.76 0.824 . . . . 0.0 112.749 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -63.96 -30.36 71.45 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.986 1.266 . . . . 0.0 112.168 178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.5 t -74.21 -60.37 2.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 121.348 -0.845 . . . . 0.0 110.77 172.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 52.1 t -76.45 -33.3 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -169.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -67.49 -18.77 65.18 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 120.181 1.355 . . . . 0.0 113.067 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -122.52 -38.04 2.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.191 1.397 . . . . 0.0 114.141 -170.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -136.32 36.97 2.73 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.772 1.629 . . . . 0.0 113.311 -169.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.42 147.6 17.04 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.945 -1.097 . . . . 0.0 113.525 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -142.5 160.83 39.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.753 2.421 . . . . 0.0 110.223 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 76.81 25.6 64.42 Favored Glycine 0 CA--C 1.536 1.392 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 173.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 t70 45.34 -96.23 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.756 2.422 . . . . 0.0 113.755 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -63.27 -23.84 67.6 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.469 1.508 . . . . 0.0 113.751 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.02 -25.55 31.05 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -49.64 -32.73 13.71 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.661 1.584 . . . . 0.0 114.04 170.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.8 tp60 -63.11 -21.43 66.18 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.081 1.353 . . . . 0.0 113.271 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -52.72 -52.07 57.74 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.3 1.04 . . . . 0.0 111.985 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.626 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -73.57 -37.43 49.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.788 178.2 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -60.36 -36.98 79.29 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.404 1.002 . . . . 0.0 111.6 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.76 -18.45 65.07 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.482 1.513 . . . . 0.0 114.879 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . 0.255 3.1 pttm -113.45 -41.41 3.65 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -56.65 -40.25 75.13 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.001 -1.062 . . . . 0.0 112.054 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 93.4 m -59.63 -29.97 68.39 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.295 1.838 . . . . 0.0 113.371 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -88.17 -36.47 16.81 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.981 0.81 . . . . 0.0 111.943 174.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -63.77 -34.78 78.66 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 119.589 1.086 . . . . 0.0 113.372 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 pp -71.16 -27.18 63.36 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -83.87 -40.44 18.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.532 1.133 . . . . 0.0 111.018 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -60.81 -30.57 70.16 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.18 1.392 . . . . 0.0 113.661 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.99 74.51 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -68.42 -22.46 64.61 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.734 -1.229 . . . . 0.0 113.165 179.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -38.52 69.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.399 -0.813 . . . . 0.0 111.829 171.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -33.09 72.49 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.225 -0.893 . . . . 0.0 113.24 175.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -53.89 -21.32 7.53 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -175.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -60.1 -38.65 83.6 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.759 1.224 . . . . 0.0 114.084 172.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.75 -33.18 4.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.666 1.187 . . . . 0.0 112.553 -175.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -52.49 10.82 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.714 1.606 . . . . 0.0 112.058 171.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.254 1.331 0 C-N-CA 129.203 3.001 . . . . 0.0 114.227 178.211 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -74.59 46.9 0.29 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.067 2.147 . . . . 0.0 114.324 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -69.86 171.26 9.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.318 1.447 . . . . 0.0 112.335 175.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -65.27 150.99 47.29 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.08 1.352 . . . . 0.0 113.034 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.74 174.45 11.57 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.103 1.361 . . . . 0.0 111.916 171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -73.71 70.19 1.36 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.702 1.601 . . . . 0.0 112.574 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.7 m -62.11 148.93 42.72 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.176 1.39 . . . . 0.0 112.676 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.5 m 61.74 122.93 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 127.832 2.453 . . . . 0.0 113.34 -170.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -67.33 148.15 98.77 Favored Pre-proline 0 N--CA 1.471 0.595 0 O-C-N 121.179 -0.951 . . . . 0.0 111.675 -176.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.52 -30.6 61.45 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.459 2.106 . . . . 0.0 113.343 -171.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -71.46 -30.7 66.33 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.464 -0.773 . . . . 0.0 112.705 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 tt -69.99 -45.26 67.7 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.814 1.246 . . . . 0.0 110.342 170.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -53.77 -47.42 70.74 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.433 -0.792 . . . . 0.0 111.907 171.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -53.68 -56.6 15.94 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.971 1.309 . . . . 0.0 110.975 171.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -47.52 36.21 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.485 1.114 . . . . 0.0 112.864 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.5 mt -67.26 -44.81 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.113 0.965 . . . . 0.0 111.184 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -58.74 -40.08 82.78 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.482 0.658 . . . . 0.0 111.074 -178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.33 -35.2 35.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.219 1.008 . . . . 0.0 111.786 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.03 -46.35 85.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.246 1.418 . . . . 0.0 111.681 169.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.9 t -59.6 -37.51 78.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.102 1.361 . . . . 0.0 112.159 175.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -76.43 -35.88 58.29 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 177.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 37' ' ' LEU . . . -47.0 -54.18 10.76 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.083 1.353 . . . . 0.0 111.707 174.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.9 -41.79 75.03 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.442 1.897 . . . . 0.0 113.84 171.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -64.73 -35.98 82.82 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.406 1.003 . . . . 0.0 113.123 177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -70.96 -49.38 46.11 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.062 0.846 . . . . 0.0 112.126 170.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.85 -66.53 0.41 Allowed 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 126.61 1.964 . . . . 0.0 112.218 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -68.7 -6.52 26.73 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -173.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.05 -3.51 59.09 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 124.184 0.994 . . . . 0.0 111.001 168.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 46.58 41.37 12.59 Favored Glycine 0 C--N 1.336 0.58 1 C-N-CA 131.496 4.379 . . . . 0.0 115.234 -169.442 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.25 -37.57 87.96 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 168.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.5 m-85 35.71 54.48 0.89 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.282 2.633 . . . . 0.0 110.753 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -127.3 -73.92 0.6 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.34 1.456 . . . . 0.0 109.827 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -81.77 -21.73 37.61 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -42.93 -60.25 1.68 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.567 1.947 . . . . 0.0 113.084 -178.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.69 -54.7 4.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.207 1.403 . . . . 0.0 113.487 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -68.76 -28.77 67.09 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.5 mt -67.72 -44.53 77.4 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 121.24 -0.913 . . . . 0.0 110.744 174.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.433 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.7 m-85 -58.43 -48.34 81.02 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.395 -0.816 . . . . 0.0 113.142 176.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -69.75 -38.83 76.95 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -63.94 -42.98 97.19 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.179 1.354 . . . . 0.0 112.241 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.76 -57.11 5.98 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.263 1.425 . . . . 0.0 111.736 169.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.54 -42.75 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.628 1.571 . . . . 0.0 111.837 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -54.59 18.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.192 0.997 . . . . 0.0 111.192 174.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -70.36 -42.17 72.16 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.625 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.5 m-85 -53.54 -46.18 70.11 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.456 1.026 . . . . 0.0 113.21 174.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.9 -38.48 73.01 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 121.335 -0.853 . . . . 0.0 112.637 177.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.16 -42.41 93.74 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.342 0.974 . . . . 0.0 112.861 176.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.3 p -69.83 -33.52 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 121.235 -0.916 . . . . 0.0 112.383 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -84.5 -58.55 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 CA-C-N 118.938 0.79 . . . . 0.0 112.602 176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -57.83 -25.62 60.9 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.667 1.122 . . . . 0.0 113.683 -171.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -117.56 -14.54 10.26 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.166 1.386 . . . . 0.0 113.956 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -151.3 28.95 0.64 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -171.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.26 131.78 28.31 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 125.092 1.357 . . . . 0.0 113.868 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -137.24 103.39 5.09 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.635 1.974 . . . . 0.0 110.464 -176.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.28 170.32 23.94 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.797 1.665 . . . . 0.0 114.026 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -72.71 -67.37 0.56 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.752 1.221 . . . . 0.0 113.005 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.75 -29.34 64.4 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.527 1.131 . . . . 0.0 113.53 -176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -53.06 -38.22 62.28 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.296 1.439 . . . . 0.0 114.698 -171.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -65.94 -28.39 68.88 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.534 1.134 . . . . 0.0 114.059 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -89.03 -25.76 21.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.135 1.774 . . . . 0.0 112.359 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -57.34 -37.17 72.13 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 177.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -83.03 -30.29 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 CA-C-N 119.268 0.94 . . . . 0.0 113.012 175.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.8 -39.42 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.193 0.906 . . . . 0.0 110.895 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.9 -13.23 31.71 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.204 1.802 . . . . 0.0 115.266 175.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -122.1 -41.07 2.45 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 p -57.19 -40.16 76.83 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 120.885 -1.135 . . . . 0.0 112.158 177.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 88.7 m -58.89 -32.44 69.5 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.271 1.828 . . . . 0.0 113.246 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -85.01 -38.3 19.38 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.528 -0.732 . . . . 0.0 111.625 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -63.69 -35.07 79.33 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.36 -33.71 67.45 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 174.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -75.81 -37.06 59.47 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.963 0.905 . . . . 0.0 111.113 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -65.94 -30.95 71.61 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 113.505 -178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.19 79.69 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.559 0.618 . . . . 0.0 112.663 173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -63.85 -26.47 68.63 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.069 -1.02 . . . . 0.0 112.837 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.73 -38.46 67.42 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.246 1.018 . . . . 0.0 112.536 174.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -35.17 72.01 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 118.292 -0.861 . . . . 0.0 112.934 174.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -56.33 -17.65 8.45 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -61.65 -41.66 97.83 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.589 1.156 . . . . 0.0 113.662 171.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -126.65 -14.65 5.68 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -169.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.07 110.19 0.13 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.062 2.145 . . . . 0.0 112.954 169.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--O 1.253 1.275 0 C-N-CA 130.224 3.41 . . . . 0.0 114.262 -179.474 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 111.271 -0.731 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -64.03 157.82 24.2 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.775 1.23 . . . . 0.0 113.197 179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -69.76 -32.09 70.41 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.273 1.029 . . . . 0.0 113.366 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.5 m-70 -66.26 148.14 52.28 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 112.858 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.7 mtm 52.5 26.96 4.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 126.422 1.889 . . . . 0.0 115.106 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -59.29 141.75 53.66 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.617 1.167 . . . . 0.0 113.538 -175.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.7 p -89.56 3.11 53.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.807 1.643 . . . . 0.0 114.12 178.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.7 m -57.68 116.58 3.51 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.973 2.109 . . . . 0.0 112.373 -175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -68.08 152.25 96.6 Favored Pre-proline 0 CA--C 1.537 0.473 0 CA-C-O 118.596 -0.716 . . . . 0.0 112.53 -176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -51.31 -38.21 61.82 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.583 2.855 . . . . 0.0 114.962 -179.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -74.66 -30.57 61.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.575 -0.703 . . . . 0.0 112.873 177.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.47 -43.44 73.21 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.096 1.358 . . . . 0.0 110.474 171.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -54.48 -47.63 72.75 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.213 1.005 . . . . 0.0 111.219 170.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -54.3 -54.67 37.16 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.587 1.155 . . . . 0.0 110.977 171.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.22 -46.85 35.74 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.962 0.905 . . . . 0.0 112.708 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.77 -43.39 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.025 0.93 . . . . 0.0 111.688 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.06 -38.54 70.77 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.65 0.78 . . . . 0.0 111.274 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.92 -32.59 21.53 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.399 1.08 . . . . 0.0 112.219 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.04 -44.32 91.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.792 1.237 . . . . 0.0 111.209 169.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 t -58.06 -43.19 86.8 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.19 1.396 . . . . 0.0 111.808 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.4 ttmm -70.4 -35.43 73.45 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.857 0.863 . . . . 0.0 112.575 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -54.79 -52.06 63.83 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.447 1.099 . . . . 0.0 110.585 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.19 80.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.074 1.35 . . . . 0.0 113.898 172.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -58.48 -48.94 79.14 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.689 1.131 . . . . 0.0 111.897 172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm-40 -61.73 -52.34 64.65 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.897 1.679 . . . . 0.0 112.39 174.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.95 -64.72 0.81 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.891 1.676 . . . . 0.0 111.992 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -69.57 -7.08 35.41 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -170.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.7 -5.7 59.23 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.507 1.523 . . . . 0.0 111.37 168.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.58 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 45.9 41.32 10.37 Favored Glycine 0 CA--C 1.521 0.456 1 C-N-CA 131.915 4.579 . . . . 0.0 115.509 -169.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -66.06 -39.08 89.8 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.27 1.028 . . . . 0.0 108.901 168.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 37.45 54.34 1.39 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 128.074 2.55 . . . . 0.0 111.553 -178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -126.31 -68.87 0.79 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.719 1.208 . . . . 0.0 111.332 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -84.1 -22.0 31.28 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.047 1.339 . . . . 0.0 112.172 175.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . . . -40.84 -61.0 1.03 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.836 2.055 . . . . 0.0 113.587 -177.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.05 -54.94 6.08 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.881 1.272 . . . . 0.0 113.271 179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -68.28 -20.72 64.8 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 95.8 mt -74.94 -47.34 30.1 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.833 0.742 . . . . 0.0 110.688 170.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.488 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 21.0 m-85 -56.89 -48.13 78.9 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.114 -0.991 . . . . 0.0 112.967 178.074 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -66.52 -37.99 86.22 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 118.206 -0.902 . . . . 0.0 113.404 177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -66.32 -42.4 88.26 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 120.344 1.429 . . . . 0.0 112.835 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -49.64 -56.78 8.82 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.578 1.151 . . . . 0.0 111.298 169.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.7 t -56.75 -44.68 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.004 1.322 . . . . 0.0 111.915 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.4 -55.08 11.77 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.837 1.255 . . . . 0.0 110.928 174.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -71.0 -42.55 69.48 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 118.356 -0.831 . . . . 0.0 113.084 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.744 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.9 m-85 -51.38 -48.51 62.53 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.057 1.299 . . . . 0.0 112.407 174.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.5 mt -67.01 -39.21 87.02 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.794 0.838 . . . . 0.0 112.984 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -65.41 -24.41 67.2 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.932 0.787 . . . . 0.0 112.368 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.8 t -79.94 -60.52 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 O-C-N 121.304 -0.872 . . . . 0.0 110.345 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.4 p -65.58 -36.86 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -169.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -72.21 -19.97 61.64 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 -178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -123.27 -31.59 3.54 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.757 1.223 . . . . 0.0 113.668 -169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -140.21 53.45 1.65 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.504 2.322 . . . . 0.0 110.9 -172.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.24 167.33 3.2 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.674 1.19 . . . . 0.0 113.741 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -123.72 150.68 44.04 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.429 1.492 . . . . 0.0 111.799 176.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.44 -174.66 41.79 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.683 1.611 . . . . 0.0 114.277 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 48.9 39.35 14.19 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.689 1.596 . . . . 0.0 113.366 -178.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 64.17 3.13 1.65 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 128.247 2.619 . . . . 0.0 115.332 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.07 -29.49 60.58 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.915 1.286 . . . . 0.0 114.158 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -51.17 -29.21 13.13 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.824 1.65 . . . . 0.0 114.692 171.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -67.18 -22.41 65.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.368 1.067 . . . . 0.0 113.167 178.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.2 p -56.33 -41.53 76.21 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.298 1.039 . . . . 0.0 113.766 -177.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.744 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -77.5 -36.78 23.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-N 118.836 0.743 . . . . 0.0 111.83 174.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -62.83 -34.19 76.79 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 119.098 0.863 . . . . 0.0 111.444 -176.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.74 -14.22 60.9 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.153 1.781 . . . . 0.0 115.14 171.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -40.66 3.05 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 p -57.42 -38.51 74.48 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.75 1.159 . . . . 0.0 112.041 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 85.1 m -60.27 -29.53 68.86 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 126.426 1.891 . . . . 0.0 113.58 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -85.84 -38.68 17.85 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.3 0.955 . . . . 0.0 111.682 173.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -61.26 -33.68 73.93 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.044 -1.035 . . . . 0.0 113.445 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.19 -34.26 72.73 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 170.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.11 -37.59 75.4 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.086 -1.009 . . . . 0.0 110.988 174.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -67.9 -31.12 70.69 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.161 0.584 . . . . 0.0 112.026 176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.18 -46.58 70.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.596 0.635 . . . . 0.0 111.398 169.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -56.64 -36.71 69.81 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.786 -1.196 . . . . 0.0 112.458 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -38.73 89.04 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.482 1.513 . . . . 0.0 113.218 173.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -34.07 74.12 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.303 1.041 . . . . 0.0 113.46 176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.82 -19.95 32.41 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.89 -47.05 86.33 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.616 1.166 . . . . 0.0 113.083 171.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -102.44 -33.53 9.49 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.69 1.196 . . . . 0.0 112.581 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -48.7 47.53 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.03 1.332 . . . . 0.0 112.132 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.073 1.749 . . . . 0.0 112.971 -175.8 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -61.12 -27.38 68.34 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -169.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -137.58 7.02 2.77 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.396 1.879 . . . . 0.0 114.139 -172.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.49 87.64 1.2 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.693 1.597 . . . . 0.0 112.996 -169.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 42.6 tpp -65.99 155.38 36.76 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.066 1.347 . . . . 0.0 112.092 172.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -70.39 175.72 4.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.096 1.358 . . . . 0.0 113.118 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -124.72 103.61 8.2 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.786 2.034 . . . . 0.0 111.373 -178.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.2 m -64.84 132.08 48.5 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.557 1.143 . . . . 0.0 110.499 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m -68.25 151.4 97.24 Favored Pre-proline 0 N--CA 1.471 0.593 0 C-N-CA 123.838 0.855 . . . . 0.0 112.429 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -63.16 -31.62 74.92 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 122.57 2.18 . . . . 0.0 113.062 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -63.58 -41.14 98.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.051 . . . . 0.0 112.411 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.9 mt -66.38 -49.01 68.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.646 0.778 . . . . 0.0 111.488 172.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -51.75 -45.11 63.55 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 122.987 0.515 . . . . 0.0 111.616 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -57.1 -60.07 4.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.884 1.274 . . . . 0.0 111.081 170.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.09 -47.24 34.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.307 1.043 . . . . 0.0 113.105 -177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 42.4 mt -74.03 -39.11 50.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 124.321 1.048 . . . . 0.0 111.338 -177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -59.56 -42.12 91.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.887 0.767 . . . . 0.0 110.81 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -33.84 49.05 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.741 0.816 . . . . 0.0 111.132 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.84 -45.37 92.61 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.876 1.271 . . . . 0.0 111.227 169.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -59.52 -42.07 91.4 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.714 1.206 . . . . 0.0 112.012 174.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -71.03 -32.74 69.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.286 1.034 . . . . 0.0 112.528 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.95 -53.01 58.78 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.08 0.952 . . . . 0.0 110.737 174.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.44 75.8 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.276 1.43 . . . . 0.0 113.967 172.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -56.36 -55.28 35.47 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.01 1.277 . . . . 0.0 111.418 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -66.57 -42.52 86.92 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.576 0.75 . . . . 0.0 112.56 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -58.12 -66.25 0.51 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 125.089 1.356 . . . . 0.0 111.292 174.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -69.62 -7.39 38.37 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -170.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.21 -4.97 58.65 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.278 1.431 . . . . 0.0 111.521 169.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.614 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 48.73 43.91 29.99 Favored Glycine 0 CA--C 1.521 0.41 1 C-N-CA 131.254 4.264 . . . . 0.0 115.626 -169.593 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -68.24 -33.42 74.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.43 0.692 . . . . 0.0 109.171 168.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.9 m-85 33.05 54.63 0.42 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.964 2.906 . . . . 0.0 112.12 179.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -134.88 -78.63 0.45 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.691 1.596 . . . . 0.0 109.782 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.73 -28.7 68.63 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.608 1.163 . . . . 0.0 113.078 176.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -45.25 -58.66 3.12 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.981 1.713 . . . . 0.0 112.984 -177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.5 -54.78 6.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.452 1.101 . . . . 0.0 113.665 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -65.94 -27.59 68.29 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.0 mt -69.18 -42.94 75.18 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.319 -0.863 . . . . 0.0 111.236 173.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 14.8 m-85 -58.14 -50.0 75.02 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.013 -1.054 . . . . 0.0 112.823 176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -69.02 -39.13 79.45 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.2 m170 -67.29 -37.77 83.95 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.054 1.297 . . . . 0.0 112.459 -176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.22 -55.63 17.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.689 1.196 . . . . 0.0 111.478 169.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.7 t -56.52 -43.41 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 125.745 1.618 . . . . 0.0 111.778 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.41 -54.79 23.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.197 0.999 . . . . 0.0 111.422 173.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -64.46 -46.21 84.09 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.191 0.905 . . . . 0.0 112.704 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' HB3' HD13 ' A' ' 62' ' ' ILE . 28.9 m-85 -51.49 -49.56 61.61 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.672 1.124 . . . . 0.0 112.411 178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.6 mt -71.3 -35.99 71.47 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.967 0.907 . . . . 0.0 113.115 177.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -65.98 -24.37 66.77 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.605 1.093 . . . . 0.0 112.529 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 89.8 t -79.42 -60.45 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.849 0.86 . . . . 0.0 109.558 169.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 t -69.41 -28.96 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 -169.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -79.83 -19.53 48.2 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.458 1.026 . . . . 0.0 113.759 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -128.4 -32.57 2.19 Favored 'General case' 0 N--CA 1.479 0.979 0 N-CA-C 115.697 1.74 . . . . 0.0 115.697 -169.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -131.86 20.18 4.59 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 126.163 1.785 . . . . 0.0 114.57 -169.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.44 154.71 10.45 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.812 1.245 . . . . 0.0 114.306 175.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -135.72 101.63 4.83 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.945 1.698 . . . . 0.0 110.146 176.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.01 165.45 33.99 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.201 1.381 . . . . 0.0 113.776 -173.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -70.05 -56.53 6.69 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.339 1.055 . . . . 0.0 113.306 -173.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -63.27 -27.66 69.49 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -174.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.62 -31.67 68.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.248 1.019 . . . . 0.0 113.065 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -67.42 -54.89 16.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.509 1.124 . . . . 0.0 110.819 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -61.02 -30.28 70.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.529 1.131 . . . . 0.0 113.259 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.3 m -55.26 -41.38 72.13 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.811 1.244 . . . . 0.0 113.422 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.568 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.9 OUTLIER -82.62 -27.73 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 175.06 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.1 mtp-105 -59.77 -35.38 74.51 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.801 1.182 . . . . 0.0 111.318 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.8 -14.72 55.22 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.083 1.753 . . . . 0.0 115.136 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.71 -45.73 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.111 1.364 . . . . 0.0 114.114 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 p -58.59 -36.07 73.4 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.33 0.968 . . . . 0.0 112.687 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 87.1 m -59.07 -30.01 67.75 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.168 1.787 . . . . 0.0 113.287 176.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -83.14 -41.54 18.4 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.343 -0.848 . . . . 0.0 111.081 175.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -63.83 -34.59 78.27 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.42 -0.8 . . . . 0.0 113.069 -175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 pp -72.04 -25.67 61.89 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -83.53 -43.81 15.33 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.807 1.243 . . . . 0.0 110.79 -178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -63.64 -29.96 71.13 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.168 0.987 . . . . 0.0 113.643 -177.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.46 -29.11 69.75 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 170.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -70.49 -26.79 63.77 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.279 -1.513 . . . . 0.0 112.984 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -38.39 69.39 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.119 0.968 . . . . 0.0 111.421 172.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.53 -34.38 64.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.845 1.258 . . . . 0.0 113.503 175.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -53.27 -23.52 9.2 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.9 -35.1 77.37 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -32.87 6.19 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.456 1.102 . . . . 0.0 112.654 -179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.08 -39.69 20.97 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.889 1.675 . . . . 0.0 112.786 177.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.368 1.867 . . . . 0.0 112.381 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -72.75 87.99 1.29 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.907 1.283 . . . . 0.0 111.68 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -71.27 -12.68 61.58 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.354 1.612 . . . . 0.0 115.354 -175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -132.52 -39.93 1.0 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.897 1.279 . . . . 0.0 114.086 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ttt -71.13 120.69 17.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.602 1.161 . . . . 0.0 111.908 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.9 m -65.62 171.04 4.45 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 125.548 1.539 . . . . 0.0 113.334 174.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 m -61.62 167.36 3.55 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.901 1.28 . . . . 0.0 113.295 173.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.9 m 72.05 155.15 0.15 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 127.615 2.366 . . . . 0.0 113.1 177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -68.12 145.12 97.47 Favored Pre-proline 0 N--CA 1.472 0.627 0 C-N-CA 124.354 1.062 . . . . 0.0 112.818 -174.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo -50.93 -43.83 45.17 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 123.859 3.039 . . . . 0.0 114.43 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -64.23 -43.99 93.23 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.282 0.633 . . . . 0.0 112.139 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 mt -63.01 -50.78 69.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.088 0.955 . . . . 0.0 111.585 173.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -53.84 -44.95 70.71 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.681 0.792 . . . . 0.0 112.041 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -57.94 -58.9 6.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 110.809 170.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.48 -46.73 48.52 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.526 1.13 . . . . 0.0 113.053 -177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 38.4 mt -72.64 -39.83 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.262 1.025 . . . . 0.0 111.218 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -60.17 -40.68 90.82 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.774 0.716 . . . . 0.0 110.807 176.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.26 -33.83 37.54 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.869 0.868 . . . . 0.0 111.419 -178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.7 88.51 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.881 1.272 . . . . 0.0 111.11 169.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 t -59.02 -42.8 91.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.849 1.26 . . . . 0.0 112.078 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -70.99 -33.68 70.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.453 1.101 . . . . 0.0 112.93 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -53.55 -52.64 59.06 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.647 1.179 . . . . 0.0 110.863 175.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.39 79.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.376 1.471 . . . . 0.0 113.733 171.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.59 -47.65 84.73 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 119.51 1.05 . . . . 0.0 112.063 175.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.09 -46.06 75.4 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.634 1.173 . . . . 0.0 112.703 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -56.71 -64.74 0.77 Allowed 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.267 1.427 . . . . 0.0 111.252 175.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -69.66 -6.76 33.63 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -171.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -87.84 -4.38 58.87 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 125.101 1.36 . . . . 0.0 111.335 169.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.595 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 47.1 43.2 17.58 Favored Glycine 0 CA--C 1.522 0.505 1 C-N-CA 131.493 4.378 . . . . 0.0 115.565 -169.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.98 -35.31 80.23 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.555 0.742 . . . . 0.0 109.189 168.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.595 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 8.6 m-85 35.54 53.55 0.8 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 128.477 2.711 . . . . 0.0 111.888 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -138.6 -71.08 0.42 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.211 1.804 . . . . 0.0 109.977 -179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.6 -36.7 81.36 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.489 1.516 . . . . 0.0 112.59 175.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -46.67 -58.47 3.82 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.736 2.014 . . . . 0.0 113.753 -171.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.01 -54.53 8.26 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.573 1.149 . . . . 0.0 112.923 -179.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -69.68 -19.42 63.59 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.5 mt -74.19 -48.07 31.54 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.541 1.064 . . . . 0.0 110.613 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.466 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.4 m-85 -55.76 -45.61 78.07 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.274 -0.891 . . . . 0.0 113.281 179.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -69.05 -38.7 79.24 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 174.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 15.9 m80 -64.55 -41.85 96.07 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 120.311 1.414 . . . . 0.0 112.717 -179.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -47.36 -57.82 4.84 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.873 1.269 . . . . 0.0 111.296 169.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.4 t -57.66 -43.45 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.489 1.515 . . . . 0.0 111.955 177.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -54.58 24.26 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.632 1.173 . . . . 0.0 111.583 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -64.95 -46.96 79.37 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 118.557 -0.735 . . . . 0.0 112.75 177.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.619 ' HB3' HD13 ' A' ' 62' ' ' ILE . 27.0 m-85 -52.15 -49.85 62.94 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.798 1.181 . . . . 0.0 112.782 177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.96 -36.64 82.66 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.54 0.736 . . . . 0.0 112.49 175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.91 -33.98 76.46 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.705 1.138 . . . . 0.0 112.455 176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 87.5 t -68.77 -60.09 2.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 110.463 172.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.5 t -79.01 -28.05 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 N-CA-C 115.47 1.655 . . . . 0.0 115.47 -169.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -76.59 -22.11 54.66 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.07 1.305 . . . . 0.0 113.274 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -127.88 -31.05 2.44 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -170.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -133.23 27.37 4.15 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.876 1.67 . . . . 0.0 113.871 -169.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.69 117.05 2.43 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.729 1.612 . . . . 0.0 113.797 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -136.69 147.02 46.56 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.415 1.886 . . . . 0.0 111.007 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 74.88 164.86 12.76 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.651 1.596 . . . . 0.0 114.761 -178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -75.1 146.43 41.42 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.534 1.133 . . . . 0.0 112.152 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.4 tptt 58.24 -16.68 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 129.511 3.124 . . . . 0.0 117.232 177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.54 66.49 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.191 1.796 . . . . 0.0 113.409 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -53.71 -57.03 12.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.217 1.407 . . . . 0.0 111.371 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -67.91 -32.79 73.5 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.4 t -56.09 -50.83 69.94 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.148 0.979 . . . . 0.0 112.403 176.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.619 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -67.72 -39.02 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.226 0.921 . . . . 0.0 111.814 176.258 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -58.34 -39.46 79.52 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.217 0.917 . . . . 0.0 111.741 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.15 -14.3 61.61 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.661 1.584 . . . . 0.0 115.034 175.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 -41.88 3.38 Favored 'General case' 0 N--CA 1.481 1.111 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 176.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -57.65 -37.7 73.8 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.053 -1.029 . . . . 0.0 112.199 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 96.1 m -58.91 -29.03 66.75 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.194 1.798 . . . . 0.0 113.122 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.13 -46.46 12.74 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.437 -0.789 . . . . 0.0 110.85 172.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -58.9 -33.44 70.54 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.909 -1.119 . . . . 0.0 113.842 -174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.2 pp -70.76 -27.98 64.34 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 171.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.78 -37.47 48.84 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.033 1.333 . . . . 0.0 110.844 176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -66.26 -24.13 66.52 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.93 -16.97 61.54 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 169.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -78.88 -26.08 43.88 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.407 1.458 . . . . 0.0 112.223 173.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -63.01 -40.35 97.51 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.142 1.377 . . . . 0.0 112.237 172.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -25.3 65.23 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.004 1.321 . . . . 0.0 113.721 -176.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -57.31 -21.26 33.74 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -169.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -66.26 -35.41 80.34 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 176.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -118.49 -31.47 4.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.175 0.99 . . . . 0.0 112.951 -172.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.93 -41.26 24.31 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.445 1.498 . . . . 0.0 113.007 173.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.216 0 C-N-CA 127.067 2.147 . . . . 0.0 112.497 -175.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.427 -0.669 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -69.92 172.38 7.86 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.052 0.941 . . . . 0.0 112.528 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.46 132.52 53.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.184 1.393 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.58 161.1 41.23 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.19 1.396 . . . . 0.0 113.001 -178.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 11.9 tpt -118.45 -3.82 10.9 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.602 1.561 . . . . 0.0 113.638 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -77.34 -10.33 59.38 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.075 1.509 . . . . 0.0 115.075 -175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.0 t -66.58 161.64 22.68 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.314 1.046 . . . . 0.0 113.19 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 m -73.23 141.89 47.29 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.36 1.464 . . . . 0.0 111.121 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.6 m -70.51 147.03 94.65 Favored Pre-proline 0 CA--C 1.54 0.561 0 O-C-N 121.712 -0.617 . . . . 0.0 112.143 175.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.73 -30.93 40.86 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 122.571 2.181 . . . . 0.0 112.559 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -67.39 -34.15 76.67 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.155 0.982 . . . . 0.0 112.367 174.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.8 tp -70.24 -45.0 67.37 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.168 0.987 . . . . 0.0 111.31 171.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -55.11 -42.8 73.39 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.763 -0.585 . . . . 0.0 112.308 171.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 tmtp? -54.09 -57.0 12.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.786 1.234 . . . . 0.0 110.835 170.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.27 -48.2 35.7 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.909 0.884 . . . . 0.0 112.653 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.7 mt -69.25 -42.99 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.297 1.039 . . . . 0.0 111.567 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -59.33 -41.58 89.45 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.444 0.64 . . . . 0.0 111.04 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.64 -34.66 40.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.983 0.913 . . . . 0.0 111.678 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.87 -45.81 89.3 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.788 1.235 . . . . 0.0 111.633 169.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.5 t -58.41 -42.33 86.98 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.578 1.151 . . . . 0.0 111.866 173.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -69.63 -35.68 75.45 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.797 1.239 . . . . 0.0 112.987 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -51.29 -51.84 50.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.141 1.376 . . . . 0.0 111.389 178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.44 -33.85 71.78 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.457 1.503 . . . . 0.0 114.219 172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -65.43 -46.58 79.37 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.068 1.304 . . . . 0.0 111.681 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -65.21 -46.3 81.26 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.84 0.856 . . . . 0.0 112.289 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.97 -66.38 0.49 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 125.218 1.407 . . . . 0.0 111.485 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -69.57 -8.3 46.08 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 -170.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.83 -6.2 59.13 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.044 1.338 . . . . 0.0 111.523 169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.629 ' HA2' ' CE1' ' A' ' 31' ' ' TYR . . . 50.53 42.46 43.74 Favored Glycine 0 CA--C 1.522 0.518 1 C-N-CA 131.109 4.195 . . . . 0.0 115.565 -169.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -66.27 -37.49 85.58 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 168.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.629 ' CE1' ' HA2' ' A' ' 29' ' ' GLY . 7.4 m-85 37.11 53.2 1.18 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 128.149 2.58 . . . . 0.0 111.498 -179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -133.63 -73.89 0.49 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.731 1.612 . . . . 0.0 109.95 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -74.87 -26.56 59.76 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.072 0.949 . . . . 0.0 113.342 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -43.54 -62.05 1.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.581 1.952 . . . . 0.0 113.441 -177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -44.78 -54.77 5.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.455 1.102 . . . . 0.0 113.204 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -67.91 -21.12 65.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.966 0.728 . . . . 0.0 112.966 -178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -74.09 -49.19 25.05 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.408 1.004 . . . . 0.0 110.848 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.457 ' CD2' ' HB1' ' A' ' 22' ' ' ALA . 18.3 m-85 -55.41 -45.28 76.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.502 0.926 . . . . 0.0 113.502 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -69.53 -41.6 75.75 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -65.96 -39.68 90.62 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.941 1.246 . . . . 0.0 112.499 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -46.14 -59.02 3.13 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.188 1.395 . . . . 0.0 111.354 169.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.0 t -57.26 -44.95 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 125.558 1.543 . . . . 0.0 112.029 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -50.28 -54.63 19.92 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.598 1.159 . . . . 0.0 111.238 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -66.51 -46.95 74.52 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.051 -0.976 . . . . 0.0 113.164 177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.672 ' HB3' HD13 ' A' ' 62' ' ' ILE . 26.0 m-85 -49.44 -51.07 38.08 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 120.207 1.367 . . . . 0.0 112.932 177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.6 mt -66.35 -39.75 89.37 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.546 0.738 . . . . 0.0 112.445 176.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -64.82 -24.07 67.43 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.392 0.996 . . . . 0.0 112.672 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.5 t -78.91 -60.69 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 O-C-N 121.096 -1.002 . . . . 0.0 110.788 169.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.8 t -75.09 -31.55 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 -169.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -67.96 -19.14 64.93 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 120.02 1.282 . . . . 0.0 113.089 177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -123.13 -39.44 2.49 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.046 1.338 . . . . 0.0 113.844 -169.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -139.98 45.98 1.87 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.64 1.976 . . . . 0.0 112.256 -169.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.28 148.35 18.79 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 120.804 -1.185 . . . . 0.0 113.327 176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -147.16 164.02 34.45 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.479 1.511 . . . . 0.0 112.814 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.27 -179.34 45.83 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 125.078 1.323 . . . . 0.0 114.443 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -85.88 -27.68 24.87 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.848 1.259 . . . . 0.0 113.688 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -141.77 -13.29 0.86 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -174.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.84 -39.21 77.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.424 1.011 . . . . 0.0 113.092 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -58.21 -40.62 82.1 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.847 1.259 . . . . 0.0 113.535 173.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -70.46 -38.29 74.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.93 1.292 . . . . 0.0 111.438 174.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 t -55.71 -45.21 77.92 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.008 0.923 . . . . 0.0 112.773 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.672 HD13 ' HB3' ' A' ' 45' ' ' PHE . 0.3 OUTLIER -64.27 -41.5 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 CA-C-N 119.634 1.106 . . . . 0.0 111.775 175.138 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -61.46 -39.39 90.67 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.886 0.766 . . . . 0.0 111.479 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.32 -25.6 68.38 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.131 1.373 . . . . 0.0 114.624 174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -43.0 5.63 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.1 p -58.03 -38.67 76.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.127 0.971 . . . . 0.0 112.462 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 95.3 m -57.97 -29.28 65.08 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.077 1.751 . . . . 0.0 112.727 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -46.6 13.54 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.575 -0.703 . . . . 0.0 110.987 172.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.02 -33.29 71.8 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 pp -71.06 -32.21 68.85 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 172.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.27 -40.38 58.86 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.706 1.203 . . . . 0.0 110.72 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -65.94 -27.16 67.96 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.971 1.709 . . . . 0.0 113.285 -176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.45 -32.15 73.61 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.34 0.973 . . . . 0.0 113.013 170.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -68.76 -18.28 64.18 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 120.637 -1.289 . . . . 0.0 113.191 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -62.94 -38.93 92.99 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.139 1.376 . . . . 0.0 111.876 169.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.63 -20.34 59.94 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.691 0.997 . . . . 0.0 113.691 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -58.26 -16.58 14.56 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -171.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -70.16 -55.84 8.37 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.373 -0.829 . . . . 0.0 113.141 172.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -39.62 12.88 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.129 0.972 . . . . 0.0 112.979 -174.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.03 -56.54 4.56 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.735 1.614 . . . . 0.0 113.118 -179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm . . . . . 0 C--O 1.252 1.217 0 C-N-CA 128.404 2.682 . . . . 0.0 113.831 -172.292 . . . . . . . . 0 0 . 1 stop_ save_