data_2ncx_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 2ncx _Structure_validation_residue.Date_analyzed 2017-08-25 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 ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.986 0.898 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.218 -0.599 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 C--O 1.215 -0.745 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.494 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 121.248 0.546 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 . . . . . 0 C--O 1.214 -0.78 0 CA-C-O 121.738 0.78 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 120.311 0.1 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.787 0.327 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 121.558 0.694 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--O 1.209 -1.035 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 121.305 0.574 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 120.807 0.337 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.21 -1.006 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.0 155.67 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 123.314 1.531 . . . . 0.0 113.166 -171.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -55.35 -25.3 34.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 110.648 -2.978 . . . . 0.0 112.345 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -68.32 0.37 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 123.573 1.654 . . . . 0.0 111.892 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.02 -10.97 6.75 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 112.211 -2.268 . . . . 0.0 112.224 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.239 0 N-CA-C 116.474 1.35 . . . . 0.0 116.474 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -65.5 -39.08 91.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.082 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.91 -30.04 57.4 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.805 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 107.222 -2.351 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.77 -37.85 20.18 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.637 1.208 . . . . 0.0 112.739 -173.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -45.02 -33.98 2.29 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.058 -1.883 . . . . 0.0 113.695 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.494 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 N-CA-C 105.527 -3.029 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.99 155.41 27.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 126.582 1.99 . . . . 0.0 111.851 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.72 -42.97 99.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 110.501 -3.045 . . . . 0.0 110.313 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 127.948 2.793 . . . . 0.0 110.833 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.14 -27.55 67.4 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.145 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-O 117.537 -1.702 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.07 -68.39 0.76 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.712 1.72 . . . . 0.0 110.131 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -57.81 -26.28 61.76 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 112.225 -2.261 . . . . 0.0 111.89 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.679 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 157.51 14.03 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 125.832 1.548 . . . . 0.0 111.52 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.85 -46.74 8.05 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 111.36 -2.654 . . . . 0.0 110.854 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.106 0 N-CA-C 105.564 -3.014 . . . . 0.0 105.564 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 163.94 13.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 125.606 1.415 . . . . 0.0 110.031 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -76.53 -37.98 55.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.892 0.745 . . . . 0.0 111.61 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 mt -49.42 -59.0 4.12 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.415 1.578 . . . . 0.0 113.104 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -58.1 -22.65 51.64 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 112.355 -2.202 . . . . 0.0 113.895 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.546 0 CA-C-O 118.58 -1.122 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.27 -57.7 11.67 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 122.735 1.255 . . . . 0.0 112.025 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -65.08 -24.21 67.39 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 112.597 -2.092 . . . . 0.0 111.195 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -41.07 -36.63 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.05 -29.3 43.43 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.219 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -29.75 68.46 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.97 1.367 . . . . 0.0 112.372 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -59.73 -29.71 68.33 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 112.968 -1.924 . . . . 0.0 112.213 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.484 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.759 0 CA-C-O 119.137 -0.813 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.58 -48.24 60.87 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 123.88 1.8 . . . . 0.0 111.76 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -53.21 -31.66 44.23 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 111.454 -2.612 . . . . 0.0 112.253 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 1 N-CA-C 103.037 -4.025 . . . . 0.0 103.037 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.59 149.06 44.25 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 126.256 1.798 . . . . 0.0 111.212 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -70.49 -30.55 67.37 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.327 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.06 164.04 0.13 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.319 1.533 . . . . 0.0 113.925 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.37 -32.2 37.39 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 111.041 -2.8 . . . . 0.0 111.61 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.103 0 N-CA-C 118.036 1.975 . . . . 0.0 118.036 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.66 -51.55 69.05 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 123.494 1.616 . . . . 0.0 112.269 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -70.31 -7.65 44.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 112.165 -2.289 . . . . 0.0 112.432 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 104.438 -3.465 . . . . 0.0 104.438 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 168.61 4.0 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 126.298 1.822 . . . . 0.0 108.734 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.04 -23.73 33.08 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.831 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 tp -43.31 -65.43 0.49 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 123.573 1.654 . . . . 0.0 114.113 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.89 -16.29 61.05 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.134 -1.848 . . . . 0.0 111.821 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 112.152 -0.379 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.59 -50.59 71.98 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-O 123.662 1.696 . . . . 0.0 110.718 -172.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.16 -10.53 59.68 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.563 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.986 0.898 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.402 HD21 ' N ' ' A' ' 3' ' ' ASN . 1.2 m-80 . . . . . 0 C--O 1.218 -0.599 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' O ' HD13 ' A' ' 12' ' ' ILE . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 C--O 1.215 -0.745 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 121.248 0.546 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 . . . . . 0 C--O 1.214 -0.78 0 CA-C-O 121.738 0.78 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 120.311 0.1 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.598 HD21 ' N ' ' A' ' 3' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.787 0.327 . . . . 0.0 111.61 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 121.558 0.694 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--O 1.209 -1.035 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 121.305 0.574 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 120.807 0.337 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.21 -1.006 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.0 155.67 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 123.314 1.531 . . . . 0.0 113.166 -171.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -55.35 -25.3 34.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 110.648 -2.978 . . . . 0.0 112.345 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -68.32 0.37 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 123.573 1.654 . . . . 0.0 111.892 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.02 -10.97 6.75 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 112.211 -2.268 . . . . 0.0 112.224 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.239 0 N-CA-C 116.474 1.35 . . . . 0.0 116.474 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -65.5 -39.08 91.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.082 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.91 -30.04 57.4 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.805 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' O ' HD13 ' A' ' 12' ' ' ILE . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 107.222 -2.351 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -48.77 -37.85 20.18 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.637 1.208 . . . . 0.0 112.739 -173.275 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -45.02 -33.98 2.29 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.058 -1.883 . . . . 0.0 113.695 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 N-CA-C 105.527 -3.029 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.99 155.41 27.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 126.582 1.99 . . . . 0.0 111.851 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.72 -42.97 99.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 110.501 -3.045 . . . . 0.0 110.313 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 127.948 2.793 . . . . 0.0 110.833 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.14 -27.55 67.4 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.145 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-O 117.537 -1.702 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.07 -68.39 0.76 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.712 1.72 . . . . 0.0 110.131 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -57.81 -26.28 61.76 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 112.225 -2.261 . . . . 0.0 111.89 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.679 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 157.51 14.03 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 125.832 1.548 . . . . 0.0 111.52 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.85 -46.74 8.05 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 111.36 -2.654 . . . . 0.0 110.854 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.106 0 N-CA-C 105.564 -3.014 . . . . 0.0 105.564 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 163.94 13.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 125.606 1.415 . . . . 0.0 110.031 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -76.53 -37.98 55.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.892 0.745 . . . . 0.0 111.61 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 mt -49.42 -59.0 4.12 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.415 1.578 . . . . 0.0 113.104 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -58.1 -22.65 51.64 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 112.355 -2.202 . . . . 0.0 113.895 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.546 0 CA-C-O 118.58 -1.122 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.27 -57.7 11.67 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 122.735 1.255 . . . . 0.0 112.025 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -65.08 -24.21 67.39 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 112.597 -2.092 . . . . 0.0 111.195 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -41.07 -36.63 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.05 -29.3 43.43 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.219 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -59.82 -29.75 68.46 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.97 1.367 . . . . 0.0 112.372 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -59.73 -29.71 68.33 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 112.968 -1.924 . . . . 0.0 112.213 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.759 0 CA-C-O 119.137 -0.813 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.58 -48.24 60.87 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 123.88 1.8 . . . . 0.0 111.76 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -53.21 -31.66 44.23 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 111.454 -2.612 . . . . 0.0 112.253 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 1 N-CA-C 103.037 -4.025 . . . . 0.0 103.037 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.59 149.06 44.25 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 126.256 1.798 . . . . 0.0 111.212 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -70.49 -30.55 67.37 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.327 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.06 164.04 0.13 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.319 1.533 . . . . 0.0 113.925 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.37 -32.2 37.39 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 111.041 -2.8 . . . . 0.0 111.61 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.103 0 N-CA-C 118.036 1.975 . . . . 0.0 118.036 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.66 -51.55 69.05 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 123.494 1.616 . . . . 0.0 112.269 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -70.31 -7.65 44.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 112.165 -2.289 . . . . 0.0 112.432 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 104.438 -3.465 . . . . 0.0 104.438 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 168.61 4.0 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 126.298 1.822 . . . . 0.0 108.734 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.04 -23.73 33.08 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.831 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 tp -43.31 -65.43 0.49 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 123.573 1.654 . . . . 0.0 114.113 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.89 -16.29 61.05 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.134 -1.848 . . . . 0.0 111.821 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 112.152 -0.379 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.59 -50.59 71.98 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-O 123.662 1.696 . . . . 0.0 110.718 -172.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.16 -10.53 59.68 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.563 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.219 -0.551 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 . . . . . 0 CA--C 1.551 0.988 0 CA-C-O 121.986 0.898 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.218 -0.599 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' O ' HD13 ' A' ' 12' ' ' ILE . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 . . . . . 0 C--O 1.215 -0.745 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 121.248 0.546 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.215 -0.749 0 CA-C-O 120.929 0.395 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 . . . . . 0 C--O 1.214 -0.78 0 CA-C-O 121.738 0.78 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 120.311 0.1 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 120.787 0.327 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 . . . . . 0 C--O 1.216 -0.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 . . . . . 0 C--O 1.216 -0.683 0 CA-C-O 121.558 0.694 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.217 -0.615 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--O 1.209 -1.035 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 121.305 0.574 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--O 1.216 -0.686 0 CA-C-O 120.807 0.337 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 24' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 . . . . . 0 C--O 1.216 -0.662 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 . . . . . 0 C--O 1.216 -0.673 0 CA-C-O 120.95 0.405 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 . . . . . 0 C--O 1.21 -1.006 0 N-CA-C 111.563 0.209 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.658 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mp -52.0 155.67 1.77 Allowed 'General case' 0 CA--C 1.547 0.862 0 CA-C-O 123.314 1.531 . . . . 0.0 113.166 -171.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -55.35 -25.3 34.16 Favored 'General case' 0 C--O 1.219 -0.551 0 CA-C-N 110.648 -2.978 . . . . 0.0 112.345 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.95 -66.53 0.53 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 122.436 1.113 . . . . 0.0 110.575 173.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 tt -50.39 -46.61 56.23 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 112.626 -2.079 . . . . 0.0 110.517 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -61.21 -39.82 91.69 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 118.131 -1.428 . . . . 0.0 113.102 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -60.29 -56.98 14.92 Favored 'General case' 0 C--O 1.211 -0.933 0 O-C-N 125.993 2.058 . . . . 0.0 110.857 -177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.67 -46.47 90.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 118.343 -1.343 . . . . 0.0 109.574 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -54.53 -52.87 60.67 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-N 112.12 -2.309 . . . . 0.0 110.279 -174.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -69.77 -30.54 68.14 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 119.038 -1.065 . . . . 0.0 110.727 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.07 -78.32 0.12 Allowed Glycine 0 CA--C 1.533 1.174 0 O-C-N 124.648 1.218 . . . . 0.0 112.333 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -33.04 47.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 C-N-CA 118.597 -1.241 . . . . 0.0 110.772 -175.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 t-160 -62.06 -61.14 2.69 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 114.285 -1.325 . . . . 0.0 111.242 -177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.47 -36.71 81.21 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 113.677 -1.601 . . . . 0.0 110.087 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.96 -55.79 30.39 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 114.614 -1.176 . . . . 0.0 111.359 177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 24.9 pt -66.73 -26.71 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.228 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -35.35 58.84 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.207 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.3 mt -75.43 -49.38 19.09 Favored 'General case' 0 C--O 1.222 -0.365 0 C-N-CA 117.526 -1.67 . . . . 0.0 108.846 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.4 tt -55.45 -49.31 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 115.1 -2.64 . . . . 0.0 111.116 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -65.13 -39.58 93.24 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.613 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -78.57 -14.94 59.09 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 117.88 -1.528 . . . . 0.0 111.32 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -86.86 -42.7 13.03 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 122.286 1.041 . . . . 0.0 110.079 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.97 0.76 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-N 112.705 -2.043 . . . . 0.0 112.841 -177.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 . . . . . 0 CA--C 1.561 1.381 0 O-C-N 124.72 1.263 . . . . 0.0 110.416 -174.088 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 110.113 -1.195 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.37 -68.32 0.37 Allowed 'General case' 0 CA--C 1.551 0.981 0 CA-C-O 123.573 1.654 . . . . 0.0 111.892 -167.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -61.02 -10.97 6.75 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-N 112.211 -2.268 . . . . 0.0 112.224 -178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.17 -61.44 2.0 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.806 0.812 . . . . 0.0 109.269 174.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.14 -47.25 75.36 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 112.851 -1.977 . . . . 0.0 109.169 -176.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -58.66 -41.55 86.36 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 116.99 -1.884 . . . . 0.0 113.011 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.9 mtmm -58.58 -59.61 5.11 Favored 'General case' 0 C--O 1.205 -1.275 0 O-C-N 125.413 1.695 . . . . 0.0 111.343 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.8 p -53.32 -50.2 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 117.881 -1.527 . . . . 0.0 111.033 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -50.67 -56.23 12.86 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 112.03 -2.35 . . . . 0.0 111.117 -175.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -61.44 -38.21 86.32 Favored 'General case' 0 C--O 1.21 -1.013 0 O-C-N 124.443 1.089 . . . . 0.0 109.2 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.0 -79.68 0.08 OUTLIER Glycine 0 CA--C 1.539 1.561 0 O-C-N 124.886 1.366 . . . . 0.0 113.537 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.24 -33.75 51.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 118.035 -1.466 . . . . 0.0 111.014 -174.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -62.07 -60.75 3.14 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.498 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -64.79 -39.76 94.12 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 112.876 -1.966 . . . . 0.0 109.542 -174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.4 -70.27 0.09 Allowed 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.419 -1.264 . . . . 0.0 111.152 175.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.2 pp -52.14 -30.9 13.75 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.988 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.83 -41.42 52.59 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.637 -175.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.6 mt -69.22 -49.63 54.71 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 125.401 1.688 . . . . 0.0 108.286 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -58.5 -45.62 90.05 Favored 'Isoleucine or valine' 0 C--N 1.351 0.659 0 C-N-CA 116.06 -2.256 . . . . 0.0 109.57 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.7 -39.66 92.27 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.359 -179.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -76.3 -27.14 56.49 Favored 'General case' 0 C--O 1.213 -0.859 0 C-N-CA 117.598 -1.641 . . . . 0.0 111.501 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -77.8 -33.51 52.5 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 123.634 0.584 . . . . 0.0 110.202 -175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.87 -6.59 10.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 CA-C-N 113.743 -1.571 . . . . 0.0 111.807 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 . . . . . 0 CA--C 1.548 0.866 0 O-C-N 124.165 0.916 . . . . 0.0 110.096 179.392 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.239 0 N-CA-C 116.474 1.35 . . . . 0.0 116.474 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.8 tp -65.5 -39.08 91.45 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.071 -1.052 . . . . 0.0 112.082 -175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -54.91 -30.04 57.4 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 114.421 -1.263 . . . . 0.0 112.805 -177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.61 -57.17 13.87 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 124.418 1.074 . . . . 0.0 110.344 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.75 -49.34 75.53 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-N 112.902 -1.954 . . . . 0.0 109.031 -179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.0 -46.12 75.15 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 117.159 -1.816 . . . . 0.0 112.569 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -55.09 -54.86 37.73 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 113.328 -1.76 . . . . 0.0 112.017 -177.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -62.16 -39.3 83.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 C-N-CA 118.736 -1.186 . . . . 0.0 110.822 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' O ' HD13 ' A' ' 12' ' ' ILE . 62.7 t80 -58.82 -65.55 0.64 Allowed 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 112.577 -2.102 . . . . 0.0 109.657 -177.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.35 -21.39 49.64 Favored 'General case' 0 C--O 1.212 -0.9 0 CA-C-N 112.747 -2.024 . . . . 0.0 111.628 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.83 -76.43 0.29 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 119.025 -1.56 . . . . 0.0 111.56 176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.416 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -61.04 -33.77 57.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 119.115 -1.034 . . . . 0.0 110.932 -176.441 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -63.32 -55.01 28.12 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 113.86 -1.518 . . . . 0.0 110.049 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -63.9 -46.0 86.81 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 115.353 -2.539 . . . . 0.0 109.625 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.87 -64.17 0.84 Allowed 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 114.571 -1.195 . . . . 0.0 112.802 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.9 pt -56.92 -34.11 43.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 119.253 -0.979 . . . . 0.0 110.847 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -34.79 73.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 118.025 -1.47 . . . . 0.0 110.931 -177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 tp -73.69 -52.86 11.85 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 -175.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.2 tt -58.4 -46.6 89.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.732 0 C-N-CA 117.809 -1.557 . . . . 0.0 109.575 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -66.17 -36.37 82.92 Favored 'General case' 0 C--O 1.22 -0.46 0 C-N-CA 118.801 -1.159 . . . . 0.0 112.054 -175.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -72.72 -41.06 65.63 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 117.536 -1.665 . . . . 0.0 110.162 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -62.79 -48.09 80.65 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.393 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.3 m -78.9 -4.08 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 CA-C-N 114.292 -1.322 . . . . 0.0 112.609 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 CA--C 1.552 1.043 0 C-N-CA 119.502 -0.879 . . . . 0.0 111.145 -173.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.626 0 N-CA-C 107.222 -2.351 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -48.77 -37.85 20.18 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.637 1.208 . . . . 0.0 112.739 -173.275 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -45.02 -33.98 2.29 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 113.058 -1.883 . . . . 0.0 113.695 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.64 -60.94 2.81 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 114.733 -1.121 . . . . 0.0 110.11 179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 tt -56.66 -50.84 70.89 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 113.378 -1.737 . . . . 0.0 108.19 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -53.44 -45.68 69.55 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 117.805 -1.558 . . . . 0.0 113.192 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -57.5 -52.22 66.29 Favored 'General case' 0 C--O 1.21 -1.008 0 CA-C-N 114.669 -1.151 . . . . 0.0 111.418 -177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.5 p -63.73 -42.55 96.34 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.649 0 C-N-CA 117.448 -1.701 . . . . 0.0 109.639 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -56.64 -59.34 5.14 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-O 123.679 1.704 . . . . 0.0 110.741 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -63.17 -26.96 69.05 Favored 'General case' 0 C--O 1.209 -1.028 0 CA-C-N 111.56 -2.564 . . . . 0.0 110.645 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.18 -77.79 0.18 Allowed Glycine 0 CA--C 1.54 1.61 0 O-C-N 124.576 1.172 . . . . 0.0 113.021 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -33.99 50.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.499 0 C-N-CA 117.505 -1.678 . . . . 0.0 110.547 -174.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 22.5 t-160 -63.6 -55.53 22.99 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 114.616 -1.174 . . . . 0.0 110.677 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.57 -46.45 89.83 Favored 'General case' 0 C--N 1.358 0.963 0 C-N-CA 115.587 -2.445 . . . . 0.0 109.246 -177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.02 -62.72 1.33 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.723 0.773 . . . . 0.0 112.698 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.7 pt -60.22 -28.44 41.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 C-N-CA 119.072 -1.051 . . . . 0.0 110.529 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' NZ ' ' OD1' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -77.62 -34.74 53.27 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 117.822 -1.551 . . . . 0.0 111.04 -176.632 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.9 tp -69.48 -52.72 23.93 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.494 -1.23 . . . . 0.0 108.355 -178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -59.34 -45.91 92.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.798 0 C-N-CA 117.236 -1.786 . . . . 0.0 109.093 179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -65.5 -35.44 80.9 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 118.278 -1.369 . . . . 0.0 111.891 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.463 ' OD1' ' NZ ' ' A' ' 17' ' ' LYS . 32.9 m-20 -83.38 -19.08 36.71 Favored 'General case' 0 C--O 1.217 -0.657 0 C-N-CA 117.663 -1.615 . . . . 0.0 111.32 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 t-80 -80.4 -38.44 30.25 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-O 121.627 0.727 . . . . 0.0 109.118 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.9 m -86.72 -2.74 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 114.166 -1.379 . . . . 0.0 111.585 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 . . . . . 0 CA--C 1.553 1.09 0 O-C-N 123.936 0.772 . . . . 0.0 110.468 177.735 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.694 0 N-CA-C 105.527 -3.029 . . . . 0.0 105.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.99 155.41 27.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 126.582 1.99 . . . . 0.0 111.851 -168.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.72 -42.97 99.66 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 110.501 -3.045 . . . . 0.0 110.313 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.06 -63.85 1.05 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 122.457 1.122 . . . . 0.0 111.549 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -49.88 -47.86 51.68 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-N 112.508 -2.133 . . . . 0.0 110.924 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.61 -43.34 84.67 Favored 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 117.952 -1.499 . . . . 0.0 112.374 178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.68 -66.77 0.39 Allowed 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 111.834 -2.439 . . . . 0.0 110.451 -176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.7 p -49.33 -46.61 19.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 C-N-CA 119.72 -0.792 . . . . 0.0 110.88 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -52.82 -59.52 4.4 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 112.611 -2.086 . . . . 0.0 111.196 -175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -66.69 -24.44 66.26 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.216 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.72 -76.8 0.22 Allowed Glycine 0 CA--C 1.533 1.208 0 CA-C-O 122.389 0.994 . . . . 0.0 111.733 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -34.37 47.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 117.901 -1.52 . . . . 0.0 111.067 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -60.81 -62.41 1.87 Allowed 'General case' 0 C--N 1.354 0.796 0 O-C-N 125.367 1.667 . . . . 0.0 110.574 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.83 -38.94 87.17 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 113.816 -1.538 . . . . 0.0 110.255 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.21 -62.39 1.69 Allowed 'General case' 0 C--N 1.349 0.585 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.282 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.1 pt -58.72 -29.17 39.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 C-N-CA 119.252 -0.979 . . . . 0.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.12 -37.0 64.23 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-O 118.586 -0.721 . . . . 0.0 112.007 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.4 mt -74.6 -49.24 22.4 Favored 'General case' 0 C--O 1.22 -0.48 0 C-N-CA 119.391 -0.924 . . . . 0.0 108.727 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.02 -45.71 83.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 115.725 -2.39 . . . . 0.0 110.422 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.25 -43.66 90.65 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 118.511 -1.275 . . . . 0.0 110.59 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -70.49 -25.09 63.0 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 117.989 -1.484 . . . . 0.0 110.861 -177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -79.28 -40.9 29.35 Favored 'General case' 0 C--O 1.215 -0.715 0 CA-C-O 121.732 0.777 . . . . 0.0 109.68 -176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.0 m -85.89 2.99 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.861 0 CA-C-N 113.577 -1.647 . . . . 0.0 112.601 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 . . . . . 0 CA--C 1.552 1.038 0 O-C-N 124.32 1.013 . . . . 0.0 110.381 -174.626 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.923 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.0 mt -70.54 172.58 8.28 Favored 'General case' 0 C--N 1.353 0.756 0 O-C-N 127.948 2.793 . . . . 0.0 110.833 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.14 -27.55 67.4 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 113.257 -1.792 . . . . 0.0 111.145 -177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.6 -62.76 1.56 Allowed 'General case' 0 C--N 1.349 0.587 0 CA-C-O 122.303 1.049 . . . . 0.0 110.571 176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -45.65 75.85 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-N 112.284 -2.235 . . . . 0.0 108.809 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -55.1 -46.32 75.51 Favored 'General case' 0 C--O 1.211 -0.955 0 C-N-CA 116.301 -2.16 . . . . 0.0 113.292 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -57.68 -63.48 1.23 Allowed 'General case' 0 C--O 1.209 -1.044 0 O-C-N 125.134 1.521 . . . . 0.0 111.514 -175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.8 p -50.24 -45.92 24.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.904 0 O-C-N 125.52 1.762 . . . . 0.0 110.293 -178.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -55.1 -63.98 0.98 Allowed 'General case' 0 C--N 1.36 1.034 0 O-C-N 126.753 2.533 . . . . 0.0 109.422 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -56.14 -30.17 61.78 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-N 112.965 -1.925 . . . . 0.0 111.246 179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.31 -78.01 0.17 Allowed Glycine 0 CA--C 1.53 1.004 0 CA-C-O 122.132 0.851 . . . . 0.0 111.255 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.49 -35.18 48.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.484 0 C-N-CA 117.878 -1.529 . . . . 0.0 110.746 -175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -59.58 -60.04 4.48 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.841 1.338 . . . . 0.0 111.071 -177.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -46.93 87.43 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 111.299 -2.682 . . . . 0.0 109.126 -177.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.99 -58.55 5.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.04 0.924 . . . . 0.0 111.931 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -61.21 -30.02 47.0 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.99 0 CA-C-N 114.746 -1.116 . . . . 0.0 111.246 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -76.18 -33.25 59.32 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.526 -179.245 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.7 tp -70.9 -54.91 9.72 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 tt -57.67 -49.0 82.11 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 CA-C-N 112.504 -2.134 . . . . 0.0 110.262 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -63.68 -39.06 93.39 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.683 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -82.38 -11.94 58.25 Favored 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 118.747 -1.181 . . . . 0.0 111.592 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -90.26 -36.31 14.79 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.757 0.789 . . . . 0.0 109.648 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.71 -0.71 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 CA-C-N 114.045 -1.434 . . . . 0.0 112.427 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? . . . . . 0 CA--C 1.546 0.823 0 O-C-N 124.604 1.19 . . . . 0.0 110.945 -174.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-O 117.537 -1.702 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.07 -68.39 0.76 Allowed 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 123.712 1.72 . . . . 0.0 110.131 -176.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -57.81 -26.28 61.76 Favored 'General case' 0 C--O 1.214 -0.78 0 CA-C-N 112.225 -2.261 . . . . 0.0 111.89 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.33 -62.92 1.43 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.428 -1.26 . . . . 0.0 110.25 176.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.18 -45.06 79.91 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 112.046 -2.343 . . . . 0.0 108.751 -176.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -57.48 -52.66 64.48 Favored 'General case' 0 C--O 1.209 -1.052 0 C-N-CA 117.406 -1.718 . . . . 0.0 112.353 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -48.14 -63.03 1.19 Allowed 'General case' 0 C--O 1.213 -0.83 0 O-C-N 124.995 1.434 . . . . 0.0 112.787 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -51.54 -46.86 37.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.773 0 CA-C-N 113.273 -1.785 . . . . 0.0 109.97 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -55.37 -59.27 5.04 Favored 'General case' 0 C--O 1.214 -0.772 0 O-C-N 126.595 2.434 . . . . 0.0 109.979 -175.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -60.91 -29.09 69.38 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 115.107 -0.952 . . . . 0.0 110.849 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.51 -75.33 0.33 Allowed Glycine 0 CA--C 1.529 0.95 0 CA-C-O 122.213 0.896 . . . . 0.0 111.689 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -33.93 51.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.421 -177.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.7 t60 -59.75 -64.66 0.87 Allowed 'General case' 0 C--N 1.356 0.89 0 O-C-N 125.015 1.447 . . . . 0.0 110.111 -177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.53 -38.41 80.94 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 112.768 -2.014 . . . . 0.0 110.561 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.23 -61.91 2.01 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.794 -1.162 . . . . 0.0 111.449 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.0 pt -59.61 -25.06 30.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 118.885 -1.126 . . . . 0.0 112.317 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -39.39 45.37 Favored 'General case' 0 C--O 1.217 -0.626 0 C-N-CA 119.956 -0.698 . . . . 0.0 111.36 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.1 mt -67.26 -54.15 23.49 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 124.13 0.894 . . . . 0.0 108.707 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -51.03 54.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 C-N-CA 116.667 -2.013 . . . . 0.0 110.122 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -61.87 -40.22 94.63 Favored 'General case' 0 C--O 1.212 -0.885 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.482 -176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -76.59 -17.64 59.09 Favored 'General case' 0 C--O 1.213 -0.819 0 C-N-CA 118.501 -1.28 . . . . 0.0 110.962 -178.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -85.16 -40.69 16.42 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.736 0.779 . . . . 0.0 109.553 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -85.79 -6.86 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 CA-C-N 113.499 -1.682 . . . . 0.0 111.549 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--N 1.346 0.417 0 O-C-N 124.626 1.204 . . . . 0.0 108.829 176.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.679 0 N-CA-C 104.1 -3.6 . . . . 0.0 104.1 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp -60.51 157.51 14.03 Favored 'General case' 0 CA--C 1.532 0.251 0 O-C-N 125.832 1.548 . . . . 0.0 111.52 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -43.85 -46.74 8.05 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 111.36 -2.654 . . . . 0.0 110.854 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.05 -61.11 2.47 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 125.325 1.641 . . . . 0.0 110.368 -172.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.87 -46.65 74.75 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-N 111.559 -2.564 . . . . 0.0 109.364 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -58.69 -38.63 78.67 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 117.853 -1.539 . . . . 0.0 113.914 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.04 -49.8 64.02 Favored 'General case' 0 C--O 1.21 -0.974 0 O-C-N 125.617 1.823 . . . . 0.0 110.406 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.4 p -62.9 -47.78 91.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.776 0 CA-C-N 114.008 -1.451 . . . . 0.0 108.155 176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -51.17 -61.49 2.2 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.314 -1.766 . . . . 0.0 110.517 -176.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -65.9 -20.97 66.41 Favored 'General case' 0 C--O 1.208 -1.097 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.703 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.99 -78.72 0.14 Allowed Glycine 0 CA--C 1.543 1.813 0 C-N-CA 119.092 -1.528 . . . . 0.0 112.528 175.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.25 -35.16 47.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 CA-C-O 122.803 1.287 . . . . 0.0 111.482 -174.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -62.25 -58.52 7.42 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 112.543 -2.117 . . . . 0.0 110.435 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -62.45 -38.97 91.85 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 117.013 -1.875 . . . . 0.0 110.303 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.27 -70.08 0.1 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.105 -0.952 . . . . 0.0 111.421 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.9 pt -50.88 -32.32 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 CA-C-O 122.102 0.953 . . . . 0.0 111.954 179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -32.87 61.94 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 113.668 -1.605 . . . . 0.0 111.968 -176.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.6 mt -77.22 -52.59 8.97 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tp -55.64 -41.61 65.46 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.599 0 C-N-CA 116.328 -2.149 . . . . 0.0 110.465 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -71.06 -38.25 72.49 Favored 'General case' 0 C--O 1.218 -0.586 0 C-N-CA 117.108 -1.837 . . . . 0.0 111.079 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -71.52 -28.19 63.72 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 115.749 -2.38 . . . . 0.0 111.433 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.74 -53.86 8.43 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 122.74 1.257 . . . . 0.0 108.084 -174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.2 m -72.26 -12.95 16.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.628 0 CA-C-N 112.768 -2.014 . . . . 0.0 111.611 -177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 118.725 -1.19 . . . . 0.0 110.021 175.097 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -1.106 0 N-CA-C 105.564 -3.014 . . . . 0.0 105.564 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.08 163.94 13.92 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 125.606 1.415 . . . . 0.0 110.031 -174.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -76.53 -37.98 55.84 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.892 0.745 . . . . 0.0 111.61 177.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.74 -61.52 2.25 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 122.689 1.233 . . . . 0.0 110.646 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.31 -39.37 60.47 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 112.031 -2.35 . . . . 0.0 111.42 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.07 -52.03 61.26 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 117.615 -1.634 . . . . 0.0 111.641 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -49.73 -51.65 37.27 Favored 'General case' 0 C--O 1.214 -0.786 0 CA-C-N 113.062 -1.881 . . . . 0.0 112.735 -175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 p -63.77 -42.99 97.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.693 0 CA-C-N 113.531 -1.668 . . . . 0.0 109.639 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -56.35 -62.79 1.48 Allowed 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 112.172 -2.285 . . . . 0.0 109.684 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -56.8 -29.83 63.1 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 113.382 -1.735 . . . . 0.0 110.434 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.43 -76.31 0.25 Allowed Glycine 0 C--O 1.217 -0.925 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -35.98 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 118.66 -1.216 . . . . 0.0 110.814 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -58.46 -61.28 2.71 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.388 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -60.66 -39.54 88.71 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-N 113.137 -1.847 . . . . 0.0 109.667 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.43 -66.17 0.45 Allowed 'General case' 0 C--N 1.352 0.705 0 C-N-CA 119.185 -1.006 . . . . 0.0 111.701 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.4 pt -54.9 -29.5 21.78 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 C-N-CA 119.49 -0.884 . . . . 0.0 112.073 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.416 ' HE2' ' HB2' ' A' ' 21' ' ' ASN . 0.0 OUTLIER -78.49 -34.8 47.21 Favored 'General case' 0 C--O 1.216 -0.666 0 C-N-CA 119.907 -0.717 . . . . 0.0 111.247 -174.648 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.2 mt -72.31 -52.22 17.21 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 121.904 0.859 . . . . 0.0 109.245 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.0 tt -54.77 -46.81 74.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.758 0 C-N-CA 116.055 -2.258 . . . . 0.0 109.972 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -67.93 -33.67 75.13 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 119.268 -0.973 . . . . 0.0 111.103 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' HB2' ' HE2' ' A' ' 17' ' ' LYS . 8.6 t30 -79.72 -18.12 51.97 Favored 'General case' 0 C--O 1.214 -0.772 0 C-N-CA 117.799 -1.561 . . . . 0.0 111.829 179.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -86.65 -40.77 14.79 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 122.339 1.066 . . . . 0.0 108.445 -174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.0 m -84.23 2.07 4.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-N 112.26 -2.245 . . . . 0.0 112.461 -178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.552 1.024 0 O-C-N 124.142 0.901 . . . . 0.0 111.234 -173.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.092 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 51.4 mt -49.42 -59.0 4.12 Favored 'General case' 0 CA--C 1.558 1.278 0 CA-C-O 123.415 1.578 . . . . 0.0 113.104 -166.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -58.1 -22.65 51.64 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 112.355 -2.202 . . . . 0.0 113.895 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -58.61 3.72 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.85 -45.74 85.82 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 112.011 -2.359 . . . . 0.0 108.785 -177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.5 mmtt -56.13 -59.84 4.34 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 117.23 -1.788 . . . . 0.0 111.579 175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -38.66 -63.1 0.54 Allowed 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 124.823 1.249 . . . . 0.0 113.16 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.0 -44.93 79.91 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 CA-C-O 123.154 1.454 . . . . 0.0 111.261 -177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.28 -57.47 12.11 Favored 'General case' 0 C--N 1.359 1.008 0 CA-C-N 110.061 -3.245 . . . . 0.0 109.011 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -64.05 -26.74 68.69 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 120.268 -0.573 . . . . 0.0 110.88 176.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.77 -74.48 0.41 Allowed Glycine 0 CA--C 1.537 1.426 0 CA-C-O 121.954 0.752 . . . . 0.0 112.847 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -59.99 -34.65 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.874 -176.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -58.18 -61.8 2.29 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 113.695 -1.593 . . . . 0.0 109.768 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.73 -40.82 98.39 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-N 112.893 -1.958 . . . . 0.0 109.799 -175.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.05 -64.43 0.82 Allowed 'General case' 0 C--N 1.35 0.619 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.638 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -55.75 -33.56 34.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 CA-C-O 121.997 0.903 . . . . 0.0 111.545 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -34.37 66.62 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.186 -1.37 . . . . 0.0 111.373 -175.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 mt -73.88 -51.16 17.09 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.1 tt -58.63 -41.79 83.13 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 116.663 -2.015 . . . . 0.0 110.604 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -67.69 -40.46 84.38 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.446 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -74.68 -24.06 58.73 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 115.993 -2.283 . . . . 0.0 111.181 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -76.94 -48.61 17.66 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-O 122.883 1.325 . . . . 0.0 108.103 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.41 -1.14 4.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-N 112.682 -2.054 . . . . 0.0 112.294 -176.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 . . . . . 0 CA--C 1.559 1.31 0 C-N-CA 119.483 -0.887 . . . . 0.0 111.543 -174.339 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.546 0 CA-C-O 118.58 -1.122 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.27 -57.7 11.67 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 122.735 1.255 . . . . 0.0 112.025 -174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 -65.08 -24.21 67.39 Favored 'General case' 0 C--O 1.216 -0.683 0 CA-C-N 112.597 -2.092 . . . . 0.0 111.195 -173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.55 -61.85 2.23 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.569 175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tt -52.11 -47.08 65.47 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 112.507 -2.133 . . . . 0.0 110.423 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -56.3 -49.28 74.74 Favored 'General case' 0 CA--C 1.565 1.525 0 C-N-CA 117.275 -1.77 . . . . 0.0 112.446 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -50.65 -60.22 3.26 Favored 'General case' 0 C--O 1.208 -1.122 0 O-C-N 124.947 1.405 . . . . 0.0 112.479 -176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -54.62 -46.84 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.101 0 CA-C-O 122.761 1.267 . . . . 0.0 111.311 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -54.71 -60.72 2.97 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 110.488 -3.051 . . . . 0.0 110.524 -173.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.28 -38.92 71.86 Favored 'General case' 0 C--O 1.207 -1.141 0 CA-C-N 112.87 -1.968 . . . . 0.0 110.059 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.2 -78.9 0.08 OUTLIER Glycine 0 CA--C 1.54 1.644 0 CA-C-O 122.246 0.915 . . . . 0.0 113.161 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -36.86 57.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 119.523 -0.871 . . . . 0.0 110.42 -174.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -58.24 -65.6 0.62 Allowed 'General case' 0 C--N 1.35 0.63 0 O-C-N 124.714 1.259 . . . . 0.0 110.61 -178.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -54.0 -42.5 69.13 Favored 'General case' 0 C--O 1.213 -0.856 0 CA-C-N 113.481 -1.69 . . . . 0.0 109.867 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.94 -70.57 0.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.309 1.052 . . . . 0.0 110.755 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -51.01 -31.27 10.4 Favored 'Isoleucine or valine' 0 C--N 1.355 0.833 0 CA-C-N 113.759 -1.564 . . . . 0.0 111.768 -178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -71.51 -49.55 39.95 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.405 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.24 -52.97 61.6 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 122.294 1.045 . . . . 0.0 108.446 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -57.45 -40.22 73.23 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 115.878 -2.329 . . . . 0.0 110.552 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -50.87 72.18 Favored 'General case' 0 C--O 1.213 -0.821 0 C-N-CA 119.356 -0.938 . . . . 0.0 109.803 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -73.93 -26.61 60.6 Favored 'General case' 0 C--O 1.209 -1.049 0 C-N-CA 117.874 -1.53 . . . . 0.0 111.589 -173.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -70.26 -45.84 65.58 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-O 122.533 1.159 . . . . 0.0 110.014 -175.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 m -77.59 -30.14 16.76 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 CA-C-N 112.19 -2.277 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 . . . . . 0 C--N 1.353 0.746 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.122 178.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.345 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -41.07 -36.63 0.72 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -54.05 -29.3 43.43 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.219 -175.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.48 -66.76 0.36 Allowed 'General case' 0 C--N 1.35 0.609 0 CA-C-N 114.772 -1.104 . . . . 0.0 110.571 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.6 tt -52.45 -49.13 65.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 113.152 -1.84 . . . . 0.0 109.652 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.78 -40.41 79.76 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 117.141 -1.824 . . . . 0.0 113.675 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -61.93 -53.75 51.36 Favored 'General case' 0 C--O 1.212 -0.878 0 O-C-N 125.195 1.559 . . . . 0.0 111.111 -175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.9 p -59.62 -47.6 90.45 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 O-C-N 124.689 1.243 . . . . 0.0 108.57 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -54.13 -60.54 3.2 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.52 -175.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -56.83 -35.28 68.63 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 113.242 -1.799 . . . . 0.0 110.394 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.7 -78.0 0.14 Allowed Glycine 0 CA--C 1.546 1.999 0 CA-C-O 122.127 0.848 . . . . 0.0 114.61 179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.33 -35.95 50.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 C-N-CA 118.004 -1.478 . . . . 0.0 110.601 -175.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -59.91 -59.54 5.27 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 113.875 -1.511 . . . . 0.0 110.166 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -61.67 -43.51 98.71 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 111.692 -2.504 . . . . 0.0 109.599 -175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.63 -68.31 0.19 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.324 175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.2 pt -51.92 -31.72 13.97 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.382 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.37 -35.65 61.08 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.552 -177.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 mt -75.67 -44.85 40.27 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.5 tp -62.68 -47.76 91.36 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.73 0 C-N-CA 117.466 -1.694 . . . . 0.0 108.793 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -62.36 -38.82 91.02 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 118.512 -1.275 . . . . 0.0 110.5 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -22.45 44.82 Favored 'General case' 0 C--O 1.22 -0.494 0 C-N-CA 116.225 -2.19 . . . . 0.0 111.63 -176.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -72.6 -52.32 15.97 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 122.095 0.95 . . . . 0.0 109.21 176.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.2 m -71.71 -27.08 27.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 CA-C-N 113.758 -1.565 . . . . 0.0 111.268 -176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 . . . . . 0 C--N 1.344 0.349 0 C-N-CA 118.483 -1.287 . . . . 0.0 108.186 176.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 2' ' ' LEU . 1.0 OUTLIER -59.82 -29.75 68.46 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 122.97 1.367 . . . . 0.0 112.372 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -59.73 -29.71 68.33 Favored 'General case' 0 C--O 1.217 -0.615 0 CA-C-N 112.968 -1.924 . . . . 0.0 112.213 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.65 -60.29 3.9 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.506 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.82 -50.48 68.46 Favored 'General case' 0 C--N 1.352 0.698 0 CA-C-N 112.569 -2.105 . . . . 0.0 109.363 -177.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.5 -48.24 69.14 Favored 'General case' 0 CA--C 1.562 1.426 0 C-N-CA 117.71 -1.596 . . . . 0.0 112.564 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -54.7 -57.22 12.35 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 112.463 -2.153 . . . . 0.0 111.638 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.5 p -57.04 -46.63 84.25 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 C-N-CA 118.302 -1.359 . . . . 0.0 110.53 -177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.404 ' O ' HD13 ' A' ' 12' ' ' ILE . 41.7 t80 -52.56 -64.64 0.75 Allowed 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 112.204 -2.271 . . . . 0.0 109.927 -176.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -58.56 -24.32 60.49 Favored 'General case' 0 C--O 1.21 -0.988 0 CA-C-N 112.457 -2.156 . . . . 0.0 111.637 176.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.39 -74.09 0.41 Allowed Glycine 0 CA--C 1.543 1.818 0 C-N-CA 119.009 -1.567 . . . . 0.0 112.85 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.404 HD13 ' O ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -63.1 -34.95 69.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 119.032 -1.067 . . . . 0.0 110.691 -175.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -61.39 -57.58 11.67 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-N 114.527 -1.215 . . . . 0.0 109.895 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -64.61 -39.1 93.12 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 114.461 -2.896 . . . . 0.0 110.577 -176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.08 -59.4 4.6 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 114.936 -1.029 . . . . 0.0 112.854 178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.6 pt -61.3 -31.16 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.36 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -35.89 63.22 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 114.487 -1.233 . . . . 0.0 110.993 -175.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 mt -72.37 -48.3 42.77 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 tt -62.13 -40.63 88.24 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 C-N-CA 116.336 -2.146 . . . . 0.0 109.795 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -66.87 -44.13 81.73 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.005 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -74.05 -21.33 59.99 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 116.465 -2.094 . . . . 0.0 111.749 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -76.71 -53.12 8.41 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.4 m -72.56 -12.38 15.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 113.003 -1.908 . . . . 0.0 111.843 -177.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 118.542 -1.263 . . . . 0.0 109.142 175.724 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.759 0 CA-C-O 119.137 -0.813 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 53.0 mt -69.58 -48.24 60.87 Favored 'General case' 0 CA--C 1.551 0.989 0 CA-C-O 123.88 1.8 . . . . 0.0 111.76 -171.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -53.21 -31.66 44.23 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 111.454 -2.612 . . . . 0.0 112.253 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.56 -58.08 8.85 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 124.601 1.188 . . . . 0.0 109.136 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tt -56.85 -47.86 79.39 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-N 112.316 -2.22 . . . . 0.0 108.687 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mmtm -56.96 -42.52 80.28 Favored 'General case' 0 C--O 1.206 -1.198 0 C-N-CA 117.476 -1.689 . . . . 0.0 112.947 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -58.48 -58.59 7.87 Favored 'General case' 0 C--O 1.21 -1.026 0 O-C-N 126.328 2.268 . . . . 0.0 109.358 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -57.88 -47.01 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 124.887 1.367 . . . . 0.0 109.936 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -51.14 -59.41 4.22 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 110.901 -2.863 . . . . 0.0 109.69 -177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -63.84 -27.46 69.19 Favored 'General case' 0 C--O 1.21 -0.993 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.294 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.12 -76.71 0.24 Allowed Glycine 0 CA--C 1.539 1.543 0 CA-C-O 122.338 0.966 . . . . 0.0 112.486 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -36.64 55.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 117.731 -1.588 . . . . 0.0 109.828 -175.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -59.26 -59.51 5.35 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-N 113.877 -1.511 . . . . 0.0 110.632 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.8 -43.38 98.96 Favored 'General case' 0 C--O 1.218 -0.58 0 C-N-CA 117.196 -1.802 . . . . 0.0 110.555 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.35 -69.19 0.13 Allowed 'General case' 0 C--N 1.351 0.651 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.831 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.7 pt -50.87 -34.09 13.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.875 0 CA-C-N 114.606 -1.179 . . . . 0.0 111.575 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -35.35 64.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 114.456 -1.247 . . . . 0.0 112.13 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.4 mt -73.77 -47.93 35.4 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 124.384 1.053 . . . . 0.0 108.336 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.6 tp -62.73 -41.76 93.61 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 C-N-CA 117.144 -1.823 . . . . 0.0 109.999 179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -66.0 -43.69 87.01 Favored 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 118.457 -1.297 . . . . 0.0 110.22 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -66.78 -39.59 87.85 Favored 'General case' 0 C--O 1.212 -0.887 0 C-N-CA 116.997 -1.881 . . . . 0.0 110.159 -178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -61.18 -53.61 54.83 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-O 122.26 1.028 . . . . 0.0 110.321 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 m -72.81 -20.5 19.18 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.741 0 C-N-CA 117.603 -1.639 . . . . 0.0 111.176 -176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 C--N 1.342 0.24 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.533 1 N-CA-C 103.037 -4.025 . . . . 0.0 103.037 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.59 149.06 44.25 Favored 'General case' 0 C--O 1.219 -0.502 0 O-C-N 126.256 1.798 . . . . 0.0 111.212 -174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -70.49 -30.55 67.37 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 113.314 -1.766 . . . . 0.0 111.327 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -66.75 0.36 Allowed 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.472 178.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.92 -46.7 43.39 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-N 113.298 -1.774 . . . . 0.0 110.424 178.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -43.87 84.92 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 115.954 -2.298 . . . . 0.0 114.024 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -55.6 -62.25 1.81 Allowed 'General case' 0 C--O 1.213 -0.847 0 O-C-N 125.108 1.505 . . . . 0.0 110.491 -175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.6 p -54.64 -44.05 68.06 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.629 0 CA-C-N 112.681 -2.054 . . . . 0.0 110.1 -176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -58.46 -59.12 5.86 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 126.05 2.094 . . . . 0.0 109.622 -175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.58 -25.07 67.88 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 113.22 -1.809 . . . . 0.0 110.998 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.49 -72.73 0.63 Allowed Glycine 0 CA--C 1.532 1.145 0 CA-C-O 122.243 0.913 . . . . 0.0 112.017 -179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.96 -34.43 62.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 118.636 -1.226 . . . . 0.0 109.939 -175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -60.84 -58.37 8.73 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 114.167 -1.379 . . . . 0.0 110.286 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -64.43 -40.99 96.82 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 116.54 -2.064 . . . . 0.0 110.233 -176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.43 -65.25 0.59 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.15 176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.7 pt -54.08 -34.28 26.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.884 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.31 -34.75 65.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.995 -175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.95 -53.71 12.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 9.8 tp -57.2 -43.91 82.61 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 C-N-CA 117.179 -1.809 . . . . 0.0 109.999 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -64.42 -42.31 96.12 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 119.232 -0.987 . . . . 0.0 109.969 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -74.28 -22.69 59.18 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 116.925 -1.91 . . . . 0.0 111.925 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -78.01 -49.45 14.04 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 122.405 1.098 . . . . 0.0 108.178 -178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.2 m -79.15 -3.97 6.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 CA-C-N 113.362 -1.745 . . . . 0.0 112.599 -174.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? . . . . . 0 CA--C 1.559 1.316 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.174 -173.856 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.818 0 N-CA-C 110.382 -1.087 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.06 164.04 0.13 Allowed 'General case' 0 C--N 1.352 0.698 0 CA-C-O 123.319 1.533 . . . . 0.0 113.925 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -52.37 -32.2 37.39 Favored 'General case' 0 C--O 1.216 -0.686 0 CA-C-N 111.041 -2.8 . . . . 0.0 111.61 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.36 -66.82 0.32 Allowed 'General case' 0 C--N 1.353 0.72 0 CA-C-N 114.913 -1.039 . . . . 0.0 111.205 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -43.9 70.44 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-N 113.03 -1.895 . . . . 0.0 109.805 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -63.14 -39.03 93.49 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 117.581 -1.648 . . . . 0.0 114.213 -178.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -56.1 -70.45 0.11 Allowed 'General case' 0 C--O 1.211 -0.922 0 O-C-N 127.95 3.281 . . . . 0.0 107.93 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -47.22 -45.24 8.87 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 124.901 1.376 . . . . 0.0 111.173 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -56.85 -60.38 3.65 Favored 'General case' 0 C--N 1.36 1.047 0 O-C-N 127.168 2.792 . . . . 0.0 109.376 -174.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -65.34 -20.22 66.3 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 112.949 -1.932 . . . . 0.0 111.354 178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.42 -74.84 0.39 Allowed Glycine 0 CA--C 1.535 1.301 0 C-N-CA 119.686 -1.245 . . . . 0.0 111.192 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -39.66 74.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 118.895 -1.122 . . . . 0.0 109.466 -179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -59.1 -55.02 40.42 Favored 'General case' 0 C--O 1.221 -0.43 0 C-N-CA 118.76 -1.176 . . . . 0.0 111.296 -176.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.28 -41.56 89.66 Favored 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 116.752 -1.979 . . . . 0.0 110.075 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.86 -67.95 0.22 Allowed 'General case' 0 C--N 1.35 0.605 0 CA-C-N 113.853 -1.522 . . . . 0.0 111.888 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.7 pt -53.47 -31.72 19.42 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.587 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.115 -177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -74.37 -43.22 57.43 Favored 'General case' 0 C--O 1.216 -0.659 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.48 -174.86 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -66.93 -49.64 64.87 Favored 'General case' 0 C--O 1.216 -0.667 0 O-C-N 125.103 1.502 . . . . 0.0 108.957 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.5 tt -57.89 -47.4 86.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.733 0 C-N-CA 115.588 -2.445 . . . . 0.0 110.216 176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -68.19 -25.49 65.26 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 119.709 -0.796 . . . . 0.0 110.944 -176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -87.87 -23.91 23.82 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 118.428 -1.309 . . . . 0.0 110.699 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -78.48 -40.73 34.6 Favored 'General case' 0 C--O 1.216 -0.706 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.659 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.18 -3.56 8.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 113.144 -1.844 . . . . 0.0 111.684 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.431 HE21 ' HB3' ' A' ' 24' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 119.522 -0.871 . . . . 0.0 109.18 176.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 2.103 0 N-CA-C 118.036 1.975 . . . . 0.0 118.036 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 38.3 mt -57.66 -51.55 69.05 Favored 'General case' 0 CA--C 1.551 1.006 0 CA-C-O 123.494 1.616 . . . . 0.0 112.269 -174.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -70.31 -7.65 44.24 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 112.165 -2.289 . . . . 0.0 112.432 -178.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.23 -51.25 10.47 Favored 'General case' 0 C--O 1.222 -0.392 0 C-N-CA 119.303 -0.959 . . . . 0.0 108.703 176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 tt -61.26 -47.02 87.94 Favored 'General case' 0 C--O 1.213 -0.84 0 CA-C-N 112.625 -2.08 . . . . 0.0 109.316 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -40.97 89.56 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 117.912 -1.515 . . . . 0.0 112.524 179.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -56.67 -61.63 2.29 Favored 'General case' 0 C--N 1.358 0.978 0 CA-C-N 112.29 -2.232 . . . . 0.0 111.858 -176.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.01 -48.18 29.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 124.629 1.206 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -51.49 -62.38 1.66 Allowed 'General case' 0 C--N 1.355 0.825 0 CA-C-N 111.623 -2.535 . . . . 0.0 111.401 -174.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -61.9 -31.54 71.85 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.804 177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.02 -79.06 0.09 OUTLIER Glycine 0 CA--C 1.537 1.451 0 C-N-CA 119.681 -1.247 . . . . 0.0 112.361 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -38.4 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.657 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -58.01 -64.25 0.97 Allowed 'General case' 0 C--N 1.354 0.774 0 O-C-N 124.575 1.172 . . . . 0.0 110.88 -178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.66 -39.24 76.6 Favored 'General case' 0 C--O 1.214 -0.797 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.723 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.65 -66.54 0.4 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 114.591 -1.186 . . . . 0.0 111.183 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.9 pt -53.55 -30.58 18.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.797 0 CA-C-N 113.273 -1.785 . . . . 0.0 111.289 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -71.54 -46.21 60.15 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.752 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.2 mt -65.44 -46.92 78.03 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.9 tt -61.45 -41.18 89.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 116.815 -1.954 . . . . 0.0 110.076 179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -57.8 -54.64 44.64 Favored 'General case' 0 C--O 1.217 -0.631 0 CA-C-O 122.273 1.035 . . . . 0.0 108.936 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.41 -30.29 70.63 Favored 'General case' 0 C--O 1.211 -0.957 0 CA-C-N 113.374 -1.739 . . . . 0.0 111.192 -174.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -71.73 -48.36 47.52 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 122.321 1.058 . . . . 0.0 110.473 -175.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.0 m -74.46 -27.36 21.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.538 0 CA-C-N 112.688 -2.051 . . . . 0.0 111.086 -177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 . . . . . 0 C--N 1.351 0.657 0 CA-C-N 114.245 -1.343 . . . . 0.0 109.45 177.231 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.624 0 N-CA-C 104.438 -3.465 . . . . 0.0 104.438 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.1 168.61 4.0 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 126.298 1.822 . . . . 0.0 108.734 -177.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -83.04 -23.73 33.08 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.831 178.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.52 -64.33 0.99 Allowed 'General case' 0 C--N 1.349 0.571 0 CA-C-O 121.882 0.849 . . . . 0.0 110.357 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 tt -53.1 -44.47 67.65 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-N 113.216 -1.811 . . . . 0.0 109.31 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -59.5 -42.31 91.85 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 116.647 -2.021 . . . . 0.0 113.768 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -59.03 -60.64 3.55 Favored 'General case' 0 C--O 1.215 -0.747 0 O-C-N 125.731 1.895 . . . . 0.0 110.697 -177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 p -55.2 -43.36 70.29 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 CA-C-N 114.515 -1.221 . . . . 0.0 110.159 -178.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -55.8 -54.51 43.57 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.434 -1.712 . . . . 0.0 110.077 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -68.91 -26.02 64.88 Favored 'General case' 0 C--O 1.207 -1.148 0 C-N-CA 117.88 -1.528 . . . . 0.0 110.807 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.86 -78.32 0.17 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.884 1.365 . . . . 0.0 111.235 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.73 -35.54 51.35 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 C-N-CA 117.463 -1.695 . . . . 0.0 110.616 -174.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -59.82 -60.41 3.88 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 114.128 -1.396 . . . . 0.0 110.405 -178.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.14 -48.62 80.92 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 125.846 1.966 . . . . 0.0 109.039 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -46.97 -61.84 1.68 Allowed 'General case' 0 C--O 1.216 -0.68 0 CA-C-O 121.486 0.66 . . . . 0.0 112.462 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.6 pt -58.25 -31.81 43.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.839 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.553 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HE3' ' HA ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -70.82 -37.55 73.21 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.779 178.825 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.45 -48.3 42.09 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 122.461 1.124 . . . . 0.0 109.092 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.88 -46.85 95.6 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 C-N-CA 116.937 -1.905 . . . . 0.0 110.03 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.3 m-20 -64.56 -42.35 95.72 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 117.824 -1.55 . . . . 0.0 111.027 -174.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -68.29 -41.44 80.97 Favored 'General case' 0 C--O 1.213 -0.868 0 CA-C-N 113.125 -1.852 . . . . 0.0 109.575 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -60.2 -53.81 53.3 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 124.851 1.345 . . . . 0.0 110.314 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.9 m -73.22 -8.6 11.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 CA-C-N 115.083 -0.962 . . . . 0.0 113.308 -175.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 CA--C 1.555 1.17 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.884 -172.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 tp -43.31 -65.43 0.49 Allowed 'General case' 0 CA--C 1.558 1.25 0 CA-C-O 123.573 1.654 . . . . 0.0 114.113 -172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.89 -16.29 61.05 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 113.134 -1.848 . . . . 0.0 111.821 -174.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.02 2.59 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 tt -55.8 -46.22 78.07 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 125.974 2.046 . . . . 0.0 108.896 -178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -58.78 -45.28 90.18 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 117.477 -1.689 . . . . 0.0 112.628 178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -55.19 -59.19 5.11 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 124.781 1.3 . . . . 0.0 112.231 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 p -56.18 -44.34 78.85 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.073 0 CA-C-O 123.935 1.826 . . . . 0.0 111.008 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -55.29 -55.96 25.5 Favored 'General case' 0 C--N 1.361 1.108 0 CA-C-N 108.863 -3.789 . . . . 0.0 109.659 -177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -65.03 -32.09 73.64 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.022 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.22 -75.81 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 O-C-N 123.862 0.726 . . . . 0.0 113.157 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -33.06 52.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 118.904 -1.118 . . . . 0.0 110.495 -176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -59.22 -65.62 0.64 Allowed 'General case' 0 C--N 1.356 0.878 0 O-C-N 124.81 1.318 . . . . 0.0 110.145 -179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -60.3 -36.86 78.87 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.35 -176.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.96 -68.11 0.22 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 119.011 -1.076 . . . . 0.0 111.566 174.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.7 pt -55.03 -28.94 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 119.52 -0.872 . . . . 0.0 112.571 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.78 -38.63 64.6 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-N 113.303 -1.771 . . . . 0.0 111.882 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.7 mt -74.11 -47.92 33.02 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-O 122.251 1.025 . . . . 0.0 109.359 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.2 tt -59.58 -45.51 93.99 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 C-N-CA 116.405 -2.118 . . . . 0.0 109.773 178.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -65.92 -43.61 87.59 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 117.293 -1.763 . . . . 0.0 110.181 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -67.72 -28.11 67.37 Favored 'General case' 0 C--O 1.212 -0.92 0 C-N-CA 117.162 -1.815 . . . . 0.0 110.594 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -76.62 -52.54 9.49 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 122.222 1.011 . . . . 0.0 109.795 -175.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 m -70.26 -12.32 15.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-N 113.728 -1.578 . . . . 0.0 112.624 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 . . . . . 0 CA--C 1.555 1.144 0 O-C-N 123.564 0.54 . . . . 0.0 111.253 -174.236 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.396 0 N-CA-C 112.152 -0.379 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 57.2 tp -61.59 -50.59 71.98 Favored 'General case' 0 C--N 1.348 0.524 0 CA-C-O 123.662 1.696 . . . . 0.0 110.718 -172.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -78.16 -10.53 59.68 Favored 'General case' 0 C--O 1.21 -1.006 0 CA-C-N 112.613 -2.085 . . . . 0.0 111.563 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.04 -56.45 17.88 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 122.022 0.915 . . . . 0.0 111.766 -175.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -56.81 -47.0 81.24 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 112.114 -2.312 . . . . 0.0 109.288 -176.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -56.78 -50.09 73.34 Favored 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 118.874 -1.13 . . . . 0.0 112.009 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -46.79 -64.18 0.84 Allowed 'General case' 0 C--O 1.208 -1.117 0 CA-C-N 112.926 -1.943 . . . . 0.0 110.578 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -54.52 -44.29 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 O-C-N 125.017 1.448 . . . . 0.0 111.005 -176.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -54.68 -63.37 1.17 Allowed 'General case' 0 C--N 1.363 1.154 0 CA-C-N 110.518 -3.037 . . . . 0.0 110.614 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -56.47 -35.52 68.04 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.159 175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.12 -78.58 0.1 Allowed Glycine 0 CA--C 1.537 1.451 0 CA-C-O 122.363 0.979 . . . . 0.0 112.335 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -36.55 61.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 118.968 -1.093 . . . . 0.0 110.649 -177.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.6 t60 -56.6 -66.32 0.46 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 113.884 -1.507 . . . . 0.0 109.901 -177.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -55.12 -41.04 71.19 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 113.911 -1.495 . . . . 0.0 110.951 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -65.16 0.62 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.553 178.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.5 pt -55.18 -31.43 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.068 0 CA-C-O 122.301 1.048 . . . . 0.0 111.884 179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.3 mmpt? -70.82 -40.34 72.51 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 113.169 -1.832 . . . . 0.0 111.627 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.9 mt -72.3 -52.18 17.44 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 122.395 1.093 . . . . 0.0 109.236 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.26 -43.01 75.51 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 115.687 -2.405 . . . . 0.0 111.202 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -66.92 -42.39 85.46 Favored 'General case' 0 C--O 1.218 -0.597 0 C-N-CA 117.622 -1.631 . . . . 0.0 110.169 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -71.64 -25.31 62.09 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 116.748 -1.981 . . . . 0.0 110.925 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -78.86 -48.48 14.61 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 122.438 1.113 . . . . 0.0 109.31 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.3 m -72.73 -17.46 18.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.075 -177.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.346 0.442 0 C-N-CA 120.382 -0.527 . . . . 0.0 109.899 177.733 . . . . . . . . 0 0 . 1 stop_ save_