data_2mug_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 2mug _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 . . . . . 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.84 122.14 29.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 118.118 -2.864 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -53.69 -41.55 67.04 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -66.65 -41.3 88.44 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.17 -54.08 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 CA-C-O 118.243 -0.885 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.36 -55.02 23.98 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.39 -47.32 64.57 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.4 2.12 Favored Glycine 0 CA--C 1.545 1.952 0 CA-C-O 118.742 -1.032 . . . . 0.0 115.433 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 84.93 -56.94 0.1 Allowed 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 124.527 1.131 . . . . 0.0 112.161 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.04 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 40.14 39.67 0.67 Allowed 'General case' 0 N--CA 1.518 2.946 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.45 -39.58 80.28 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.74 -41.37 97.56 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.14 -53.06 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.217 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -37.75 88.61 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.64 -50.8 27.24 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.75 -67.36 1.92 Allowed Glycine 0 CA--C 1.545 1.94 0 CA-C-N 118.856 0.753 . . . . 0.0 114.662 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.73 -67.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.135 0.574 . . . . 0.0 111.803 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 119.017 -2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -142.93 120.69 11.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 118.097 -2.877 . . . . 0.0 107.522 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -56.76 -39.16 73.52 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -63.36 -42.44 98.89 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mt -66.19 -53.25 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.259 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -38.34 86.12 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -71.34 -43.46 66.95 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -73.93 0.78 Allowed Glycine 0 CA--C 1.544 1.877 0 CA-C-N 119.297 0.953 . . . . 0.0 114.269 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -141.86 91.32 2.34 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.269 -2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -87.51 133.95 33.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 118.182 -2.823 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.88 -39.72 62.87 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.21 -41.78 97.43 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -73.56 -54.7 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.013 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -65.88 -59.35 3.95 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 120.009 1.277 . . . . 0.0 114.261 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.72 -44.5 70.19 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.72 -61.95 3.61 Favored Glycine 0 CA--C 1.545 1.959 0 N-CA-C 115.864 1.106 . . . . 0.0 115.864 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -78.0 -65.77 0.93 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 118.201 1.001 . . . . 0.0 112.019 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -83.97 133.24 34.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.94 0.775 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.21 -38.85 63.27 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.48 -38.3 86.78 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.53 -54.45 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.792 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.262 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.14 -39.43 82.69 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.72 -50.17 52.96 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.278 0.944 . . . . 0.0 113.423 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.61 -65.96 2.34 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.756 0.707 . . . . 0.0 114.682 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -80.54 -71.51 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 117.381 0.59 . . . . 0.0 110.783 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -86.84 124.23 32.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 118.102 -2.873 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.52 -39.65 64.82 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -63.71 -41.4 98.1 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.45 -53.03 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 C-N-CA 124.066 0.946 . . . . 0.0 111.284 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -43.38 88.31 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.7 -47.25 55.24 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.11 -66.93 2.06 Favored Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.914 0.779 . . . . 0.0 114.689 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.53 -69.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.368 0.584 . . . . 0.0 111.443 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 118.99 -2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -92.12 125.58 36.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.983 0.802 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 71.31 -40.49 0.48 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -67.68 -37.66 82.66 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.88 -58.85 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -57.32 -54.34 47.92 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.33 -46.79 59.76 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.14 -81.8 0.71 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-O 119.154 -0.804 . . . . 0.0 114.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -160.81 -67.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 117.638 0.719 . . . . 0.0 109.855 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 O-C-N 119.052 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.31 119.67 25.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.963 0.789 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.93 -37.4 66.36 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -62.53 -45.35 93.39 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.87 -46.16 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 C-N-CA 123.78 0.832 . . . . 0.0 111.687 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -60.5 -50.29 74.17 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -66.36 -34.55 78.21 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.91 -73.97 1.08 Allowed Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.417 1.008 . . . . 0.0 112.907 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -79.48 -68.84 0.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -85.31 131.57 34.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.188 -2.82 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.87 -37.6 69.01 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.39 -39.25 86.62 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.93 -53.69 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.194 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -66.79 -40.91 88.31 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.95 -49.88 47.46 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.83 -66.96 2.02 Favored Glycine 0 CA--C 1.545 1.937 0 CA-C-N 118.83 0.741 . . . . 0.0 114.809 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -77.37 -67.6 0.7 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.371 0.586 . . . . 0.0 111.778 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -88.32 124.85 34.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 118.148 -2.845 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -52.69 -41.83 64.23 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.94 -41.79 90.85 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.61 -52.93 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.452 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -64.56 -38.94 92.76 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.58 -50.75 28.01 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 119.179 0.9 . . . . 0.0 113.292 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.39 -67.8 1.8 Allowed Glycine 0 CA--C 1.544 1.899 0 CA-C-N 118.924 0.784 . . . . 0.0 114.859 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.84 -66.07 0.79 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.18 0.592 . . . . 0.0 112.117 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.104 -2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -84.45 120.81 26.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 123.997 0.811 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -50.93 -42.55 59.73 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.38 -40.03 92.99 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.46 -53.88 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 117.845 -1.074 . . . . 0.0 111.53 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -65.74 -37.83 87.46 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.22 -50.8 36.22 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.335 0.97 . . . . 0.0 113.253 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.99 -67.39 1.9 Allowed Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.866 0.757 . . . . 0.0 114.707 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.41 -67.49 0.69 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.116 0.566 . . . . 0.0 111.867 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.05 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -82.95 142.91 31.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 123.932 0.77 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -49.33 -40.73 36.39 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -67.35 -44.53 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.631 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -63.93 -50.42 68.76 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -46.69 72.61 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.18 -69.64 1.34 Allowed Glycine 0 CA--C 1.544 1.885 0 CA-C-N 119.039 0.836 . . . . 0.0 114.962 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.75 -68.42 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.118 0.567 . . . . 0.0 111.862 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -174.72 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.006 0.816 . . . . 0.0 112.759 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.96 -39.58 69.07 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -66.76 -43.5 83.9 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.97 -51.3 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 117.971 -1.014 . . . . 0.0 111.545 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -37.71 85.29 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.75 -51.12 36.89 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.21 -68.77 1.53 Allowed Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.911 0.778 . . . . 0.0 114.582 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.87 -67.87 0.66 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.187 0.595 . . . . 0.0 111.964 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 119.005 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -84.09 119.98 25.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.981 0.8 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.47 -41.56 60.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -68.92 -39.18 79.77 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.6 mt -74.95 -59.03 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.937 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -57.09 -54.28 48.52 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.73 -46.26 59.14 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.9 -81.96 0.69 Allowed Glycine 0 CA--C 1.543 1.815 0 CA-C-O 119.133 -0.815 . . . . 0.0 114.818 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -160.11 -68.04 0.07 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.624 0.712 . . . . 0.0 109.731 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 O-C-N 119.03 -2.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -144.33 120.76 10.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 118.103 -2.873 . . . . 0.0 107.478 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.41 -39.8 67.64 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -64.12 -39.7 94.59 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.13 -53.61 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 C-N-CA 123.981 0.912 . . . . 0.0 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -64.15 -40.41 96.09 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -69.48 -50.05 49.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 119.131 0.878 . . . . 0.0 113.08 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.43 -67.4 1.84 Allowed Glycine 0 CA--C 1.545 1.949 0 CA-C-O 118.978 -0.901 . . . . 0.0 114.775 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 87.76 -63.39 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 124.726 1.211 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 119.203 -2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.98 120.43 26.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.009 0.818 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -51.62 -41.55 61.35 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.51 -46.02 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 C-N-CA 123.797 0.839 . . . . 0.0 111.477 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -60.99 -49.09 78.86 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -66.39 -37.27 84.87 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -71.64 1.27 Allowed Glycine 0 CA--C 1.542 1.777 0 CA-C-N 119.295 0.952 . . . . 0.0 113.349 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -74.75 -67.64 0.62 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.35 0.66 . . . . 0.0 112.019 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.051 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -144.01 145.51 32.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 118.043 -2.911 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 66.48 -14.08 0.16 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -61.55 -43.05 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.0 -50.21 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.935 0.894 . . . . 0.0 111.835 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.34 -45.15 92.59 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.8 -35.86 81.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -72.86 1.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 119.314 0.961 . . . . 0.0 112.686 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.13 -70.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.205 0.602 . . . . 0.0 111.254 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -145.1 141.68 29.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 118.043 -2.911 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 71.26 -52.84 0.68 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.937 1.695 . . . . 0.0 115.128 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -61.67 -41.29 97.35 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.99 -51.32 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.593 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -62.3 -42.49 99.41 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.28 -35.95 76.57 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 -70.74 1.33 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 119.019 -0.878 . . . . 0.0 113.376 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 tttt 86.33 -59.01 0.06 Allowed 'General case' 0 N--CA 1.513 2.725 0 C-N-CA 124.8 1.24 . . . . 0.0 111.806 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -81.7 143.99 31.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 123.938 0.774 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.21 -42.44 51.49 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -68.42 -49.01 63.05 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -70.44 -59.7 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.006 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -67.67 -61.59 1.81 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 120.201 1.364 . . . . 0.0 114.541 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.07 -35.98 69.43 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.63 -58.6 3.24 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 120.37 1.441 . . . . 0.0 115.538 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -70.81 0.53 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.204 1.002 . . . . 0.0 111.089 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.56 119.42 38.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 124.184 0.927 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 71.97 -41.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.47 -42.6 99.59 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.62 -51.98 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.355 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -68.4 -33.52 74.38 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.37 -82.78 1.06 Allowed Glycine 0 CA--C 1.542 1.751 0 CA-C-N 119.402 1.001 . . . . 0.0 112.949 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -155.83 -87.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.539 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.46 123.09 30.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 118.176 -2.827 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.1 -39.64 66.55 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -64.34 -40.63 96.27 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -68.13 -51.72 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.419 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -43.25 96.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.28 -47.88 32.07 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 178.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.03 -66.09 2.39 Favored Glycine 0 CA--C 1.545 1.947 0 CA-C-N 119.066 0.848 . . . . 0.0 114.986 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.5 -69.16 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 117.338 0.569 . . . . 0.0 111.106 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -133.13 119.04 19.43 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 72.24 -45.16 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 178.013 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -67.92 -52.44 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.789 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.324 178.178 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.48 91.73 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 179.312 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -73.0 -47.28 46.56 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -66.94 2.08 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 119.02 0.827 . . . . 0.0 114.881 177.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.89 -67.48 0.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.367 0.584 . . . . 0.0 111.737 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 119.015 -2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 . . . . . 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.84 122.14 29.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 118.118 -2.864 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -53.69 -41.55 67.04 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -66.65 -41.3 88.44 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.17 -54.08 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 CA-C-O 118.243 -0.885 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.36 -55.02 23.98 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.39 -47.32 64.57 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.4 2.12 Favored Glycine 0 CA--C 1.545 1.952 0 CA-C-O 118.742 -1.032 . . . . 0.0 115.433 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 84.93 -56.94 0.1 Allowed 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 124.527 1.131 . . . . 0.0 112.161 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.04 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 40.14 39.67 0.67 Allowed 'General case' 0 N--CA 1.518 2.946 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.45 -39.58 80.28 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.74 -41.37 97.56 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.14 -53.06 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.217 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -37.75 88.61 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.64 -50.8 27.24 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.75 -67.36 1.92 Allowed Glycine 0 CA--C 1.545 1.94 0 CA-C-N 118.856 0.753 . . . . 0.0 114.662 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.73 -67.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.135 0.574 . . . . 0.0 111.803 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 119.017 -2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -142.93 120.69 11.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 118.097 -2.877 . . . . 0.0 107.522 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -56.76 -39.16 73.52 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -63.36 -42.44 98.89 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mt -66.19 -53.25 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.259 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -38.34 86.12 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -71.34 -43.46 66.95 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -73.93 0.78 Allowed Glycine 0 CA--C 1.544 1.877 0 CA-C-N 119.297 0.953 . . . . 0.0 114.269 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -141.86 91.32 2.34 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.269 -2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -87.51 133.95 33.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 118.182 -2.823 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.88 -39.72 62.87 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.21 -41.78 97.43 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -73.56 -54.7 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.013 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -65.88 -59.35 3.95 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 120.009 1.277 . . . . 0.0 114.261 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.72 -44.5 70.19 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.72 -61.95 3.61 Favored Glycine 0 CA--C 1.545 1.959 0 N-CA-C 115.864 1.106 . . . . 0.0 115.864 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -78.0 -65.77 0.93 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 118.201 1.001 . . . . 0.0 112.019 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -83.97 133.24 34.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.94 0.775 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.21 -38.85 63.27 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.48 -38.3 86.78 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.53 -54.45 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.792 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.262 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.14 -39.43 82.69 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.72 -50.17 52.96 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.278 0.944 . . . . 0.0 113.423 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.61 -65.96 2.34 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.756 0.707 . . . . 0.0 114.682 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -80.54 -71.51 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 117.381 0.59 . . . . 0.0 110.783 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -86.84 124.23 32.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 118.102 -2.873 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.52 -39.65 64.82 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -63.71 -41.4 98.1 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.45 -53.03 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 C-N-CA 124.066 0.946 . . . . 0.0 111.284 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -43.38 88.31 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.7 -47.25 55.24 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.11 -66.93 2.06 Favored Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.914 0.779 . . . . 0.0 114.689 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.53 -69.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.368 0.584 . . . . 0.0 111.443 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 118.99 -2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -92.12 125.58 36.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.983 0.802 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 71.31 -40.49 0.48 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -67.68 -37.66 82.66 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.88 -58.85 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -57.32 -54.34 47.92 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.33 -46.79 59.76 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.14 -81.8 0.71 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-O 119.154 -0.804 . . . . 0.0 114.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -160.81 -67.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 117.638 0.719 . . . . 0.0 109.855 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 O-C-N 119.052 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.31 119.67 25.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.963 0.789 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.93 -37.4 66.36 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -62.53 -45.35 93.39 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.87 -46.16 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 C-N-CA 123.78 0.832 . . . . 0.0 111.687 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -60.5 -50.29 74.17 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -66.36 -34.55 78.21 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.91 -73.97 1.08 Allowed Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.417 1.008 . . . . 0.0 112.907 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -79.48 -68.84 0.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -85.31 131.57 34.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.188 -2.82 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.87 -37.6 69.01 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.39 -39.25 86.62 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.93 -53.69 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.194 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -66.79 -40.91 88.31 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.95 -49.88 47.46 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.83 -66.96 2.02 Favored Glycine 0 CA--C 1.545 1.937 0 CA-C-N 118.83 0.741 . . . . 0.0 114.809 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -77.37 -67.6 0.7 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.371 0.586 . . . . 0.0 111.778 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -88.32 124.85 34.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 118.148 -2.845 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -52.69 -41.83 64.23 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.94 -41.79 90.85 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.61 -52.93 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.452 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -64.56 -38.94 92.76 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.58 -50.75 28.01 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 119.179 0.9 . . . . 0.0 113.292 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.39 -67.8 1.8 Allowed Glycine 0 CA--C 1.544 1.899 0 CA-C-N 118.924 0.784 . . . . 0.0 114.859 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.84 -66.07 0.79 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.18 0.592 . . . . 0.0 112.117 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.104 -2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -84.45 120.81 26.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 123.997 0.811 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -50.93 -42.55 59.73 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.38 -40.03 92.99 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.46 -53.88 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 117.845 -1.074 . . . . 0.0 111.53 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -65.74 -37.83 87.46 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.22 -50.8 36.22 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.335 0.97 . . . . 0.0 113.253 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.99 -67.39 1.9 Allowed Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.866 0.757 . . . . 0.0 114.707 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.41 -67.49 0.69 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.116 0.566 . . . . 0.0 111.867 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.05 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -82.95 142.91 31.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 123.932 0.77 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -49.33 -40.73 36.39 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -67.35 -44.53 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.631 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -63.93 -50.42 68.76 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -46.69 72.61 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.18 -69.64 1.34 Allowed Glycine 0 CA--C 1.544 1.885 0 CA-C-N 119.039 0.836 . . . . 0.0 114.962 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.75 -68.42 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.118 0.567 . . . . 0.0 111.862 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -174.72 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.006 0.816 . . . . 0.0 112.759 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.96 -39.58 69.07 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -66.76 -43.5 83.9 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.97 -51.3 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 117.971 -1.014 . . . . 0.0 111.545 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -37.71 85.29 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.75 -51.12 36.89 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.21 -68.77 1.53 Allowed Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.911 0.778 . . . . 0.0 114.582 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.87 -67.87 0.66 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.187 0.595 . . . . 0.0 111.964 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 119.005 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -84.09 119.98 25.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.981 0.8 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.47 -41.56 60.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -68.92 -39.18 79.77 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.6 mt -74.95 -59.03 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.937 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -57.09 -54.28 48.52 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.73 -46.26 59.14 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.9 -81.96 0.69 Allowed Glycine 0 CA--C 1.543 1.815 0 CA-C-O 119.133 -0.815 . . . . 0.0 114.818 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -160.11 -68.04 0.07 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.624 0.712 . . . . 0.0 109.731 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 O-C-N 119.03 -2.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -144.33 120.76 10.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 118.103 -2.873 . . . . 0.0 107.478 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.41 -39.8 67.64 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -64.12 -39.7 94.59 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.13 -53.61 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 C-N-CA 123.981 0.912 . . . . 0.0 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -64.15 -40.41 96.09 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -69.48 -50.05 49.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 119.131 0.878 . . . . 0.0 113.08 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.43 -67.4 1.84 Allowed Glycine 0 CA--C 1.545 1.949 0 CA-C-O 118.978 -0.901 . . . . 0.0 114.775 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 87.76 -63.39 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 124.726 1.211 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 119.203 -2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.98 120.43 26.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.009 0.818 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -51.62 -41.55 61.35 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.51 -46.02 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 C-N-CA 123.797 0.839 . . . . 0.0 111.477 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -60.99 -49.09 78.86 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -66.39 -37.27 84.87 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -71.64 1.27 Allowed Glycine 0 CA--C 1.542 1.777 0 CA-C-N 119.295 0.952 . . . . 0.0 113.349 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -74.75 -67.64 0.62 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.35 0.66 . . . . 0.0 112.019 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.051 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -144.01 145.51 32.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 118.043 -2.911 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 66.48 -14.08 0.16 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -61.55 -43.05 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.0 -50.21 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.935 0.894 . . . . 0.0 111.835 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.34 -45.15 92.59 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.8 -35.86 81.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -72.86 1.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 119.314 0.961 . . . . 0.0 112.686 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.13 -70.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.205 0.602 . . . . 0.0 111.254 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -145.1 141.68 29.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 118.043 -2.911 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 71.26 -52.84 0.68 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.937 1.695 . . . . 0.0 115.128 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -61.67 -41.29 97.35 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.99 -51.32 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.593 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -62.3 -42.49 99.41 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.28 -35.95 76.57 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 -70.74 1.33 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 119.019 -0.878 . . . . 0.0 113.376 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 tttt 86.33 -59.01 0.06 Allowed 'General case' 0 N--CA 1.513 2.725 0 C-N-CA 124.8 1.24 . . . . 0.0 111.806 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -81.7 143.99 31.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 123.938 0.774 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.21 -42.44 51.49 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -68.42 -49.01 63.05 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -70.44 -59.7 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.006 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -67.67 -61.59 1.81 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 120.201 1.364 . . . . 0.0 114.541 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.07 -35.98 69.43 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.63 -58.6 3.24 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 120.37 1.441 . . . . 0.0 115.538 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -70.81 0.53 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.204 1.002 . . . . 0.0 111.089 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.56 119.42 38.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 124.184 0.927 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 71.97 -41.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.47 -42.6 99.59 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.62 -51.98 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.355 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -68.4 -33.52 74.38 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.37 -82.78 1.06 Allowed Glycine 0 CA--C 1.542 1.751 0 CA-C-N 119.402 1.001 . . . . 0.0 112.949 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -155.83 -87.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.539 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.46 123.09 30.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 118.176 -2.827 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.1 -39.64 66.55 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -64.34 -40.63 96.27 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -68.13 -51.72 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.419 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -43.25 96.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.28 -47.88 32.07 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 178.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.03 -66.09 2.39 Favored Glycine 0 CA--C 1.545 1.947 0 CA-C-N 119.066 0.848 . . . . 0.0 114.986 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.5 -69.16 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 117.338 0.569 . . . . 0.0 111.106 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -133.13 119.04 19.43 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 72.24 -45.16 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 178.013 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -67.92 -52.44 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.789 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.324 178.178 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.48 91.73 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 179.312 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -73.0 -47.28 46.56 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -66.94 2.08 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 119.02 0.827 . . . . 0.0 114.881 177.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.89 -67.48 0.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.367 0.584 . . . . 0.0 111.737 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 119.015 -2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 . . . . . 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 . . . . . 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 . . . . . 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 . . . . . 0 N--CA 1.496 1.868 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 . . . . . 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 . . . . . 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 . . . . . 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 . . . . . 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -85.84 122.14 29.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 118.118 -2.864 . . . . 0.0 109.745 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -53.69 -41.55 67.04 Favored 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 116.867 2.173 . . . . 0.0 116.867 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.23 -54.41 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 123.965 0.906 . . . . 0.0 110.771 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.98 -49.94 67.66 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.02 -47.99 82.27 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -68.66 -41.13 79.72 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.7 t -59.86 -44.49 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.353 1.433 . . . . 0.0 110.596 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.62 -51.96 65.43 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 124.957 1.303 . . . . 0.0 113.358 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.2 m -66.5 -33.54 64.15 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.842 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -68.27 -43.29 78.12 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.128 0.877 . . . . 0.0 112.733 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -65.9 -34.82 79.0 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.31 -51.45 70.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 119.893 1.224 . . . . 0.0 109.561 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 mp -67.13 -38.82 86.22 Favored 'General case' 0 CA--C 1.568 1.664 0 CA-C-O 117.68 -1.152 . . . . 0.0 113.077 177.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -62.45 -46.22 89.5 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 120.572 1.533 . . . . 0.0 114.887 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 51.7 t60 -66.65 -41.3 88.44 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.9 mt -73.17 -54.08 16.64 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 CA-C-O 118.243 -0.885 . . . . 0.0 111.177 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -64.36 -55.02 23.98 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -69.39 -47.32 64.57 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.95 -66.4 2.12 Favored Glycine 0 CA--C 1.545 1.952 0 CA-C-O 118.742 -1.032 . . . . 0.0 115.433 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.1 tttt 84.93 -56.94 0.1 Allowed 'General case' 0 N--CA 1.516 2.872 0 C-N-CA 124.527 1.131 . . . . 0.0 112.161 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 119.04 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.265 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 40.14 39.67 0.67 Allowed 'General case' 0 N--CA 1.518 2.946 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -58.45 -39.58 80.28 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.8 t -65.14 -53.57 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 C-N-CA 124.101 0.96 . . . . 0.0 110.772 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.3 m -53.73 -49.7 67.56 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 114.911 1.448 . . . . 0.0 114.911 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.05 -46.97 88.51 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 115.812 1.782 . . . . 0.0 115.812 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -70.71 -42.0 71.19 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.13 -44.79 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 CA-C-N 120.445 1.475 . . . . 0.0 110.793 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.9 -50.89 69.45 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 125.091 1.357 . . . . 0.0 113.466 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 m -67.85 -34.16 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.802 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -69.41 -43.41 73.48 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-N 119.221 0.919 . . . . 0.0 112.743 177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -63.61 -38.99 93.23 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.06 -49.19 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.452 1.024 . . . . 0.0 109.029 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.9 -42.76 99.9 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.946 -1.026 . . . . 0.0 113.216 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -47.68 84.52 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 119.779 1.172 . . . . 0.0 114.084 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -61.74 -41.37 97.56 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.7 mt -67.14 -53.06 36.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.217 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.24 -37.75 88.61 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.155 1.909 . . . . 0.0 116.155 177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -71.64 -50.8 27.24 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 178.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.75 -67.36 1.92 Allowed Glycine 0 CA--C 1.545 1.94 0 CA-C-N 118.856 0.753 . . . . 0.0 114.662 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.73 -67.51 0.69 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.135 0.574 . . . . 0.0 111.803 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.244 0 O-C-N 119.017 -2.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -142.93 120.69 11.89 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 118.097 -2.877 . . . . 0.0 107.522 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -56.76 -39.16 73.52 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 117.099 2.259 . . . . 0.0 117.099 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.2 t -65.3 -53.7 37.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.117 0.967 . . . . 0.0 111.391 177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -55.1 -48.34 73.71 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.87 -47.98 82.57 Favored 'General case' 0 N--CA 1.494 1.736 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.55 -40.8 80.51 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.59 -44.78 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.01 0 CA-C-N 120.227 1.376 . . . . 0.0 110.633 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.61 -52.1 64.93 Favored 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.987 1.315 . . . . 0.0 113.32 177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.82 -33.93 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.835 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -68.43 -44.41 75.01 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 119.25 0.932 . . . . 0.0 112.449 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.66 -32.18 73.73 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 114.76 1.392 . . . . 0.0 114.76 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.39 -52.28 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 CA-C-N 119.949 1.25 . . . . 0.0 109.054 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.25 -40.63 90.32 Favored 'General case' 0 CA--C 1.569 1.711 0 CA-C-O 117.783 -1.104 . . . . 0.0 112.63 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -58.75 -46.7 86.83 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -63.36 -42.44 98.89 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.9 mt -66.19 -53.25 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 CA-C-O 118.007 -0.997 . . . . 0.0 111.259 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -38.34 86.12 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -71.34 -43.46 66.95 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -73.93 0.78 Allowed Glycine 0 CA--C 1.544 1.877 0 CA-C-N 119.297 0.953 . . . . 0.0 114.269 177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -141.86 91.32 2.34 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 104.229 -2.508 . . . . 0.0 104.229 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.442 0 O-C-N 119.269 -2.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.055 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -87.51 133.95 33.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 118.182 -2.823 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -52.88 -39.72 62.87 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 117.543 2.423 . . . . 0.0 117.543 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.9 -54.55 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.131 0.972 . . . . 0.0 110.673 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.8 p -54.72 -47.72 73.42 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -61.33 -45.74 93.18 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -69.49 -40.62 76.91 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.2 t -59.22 -45.7 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.038 0 CA-C-N 120.354 1.434 . . . . 0.0 110.825 177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.36 -50.65 70.93 Favored 'General case' 0 CA--C 1.561 1.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.585 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 m -67.81 -33.64 62.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -69.5 -43.94 72.09 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.202 0.91 . . . . 0.0 112.545 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -63.71 -38.08 89.77 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.78 -49.05 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 CA-C-N 119.636 1.107 . . . . 0.0 109.061 177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.0 mt -64.64 -41.49 96.1 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.265 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -62.64 -48.42 79.43 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-N 120.078 1.308 . . . . 0.0 113.96 177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -61.21 -41.78 97.43 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 53.3 mt -73.56 -54.7 14.66 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 CA-C-O 118.255 -0.878 . . . . 0.0 111.013 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -65.88 -59.35 3.95 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-N 120.009 1.277 . . . . 0.0 114.261 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -69.72 -44.5 70.19 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.72 -61.95 3.61 Favored Glycine 0 CA--C 1.545 1.959 0 N-CA-C 115.864 1.106 . . . . 0.0 115.864 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -78.0 -65.77 0.93 Allowed 'General case' 0 N--CA 1.494 1.729 0 CA-C-N 118.201 1.001 . . . . 0.0 112.019 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 119.042 -2.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.272 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -83.97 133.24 34.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 123.94 0.775 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.21 -38.85 63.27 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.21 -55.24 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 C-N-CA 124.071 0.948 . . . . 0.0 110.299 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 93.9 p -53.91 -47.85 70.75 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.52 -46.46 89.87 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 177.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -68.33 -40.81 81.5 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.47 -46.04 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 CA-C-N 120.266 1.393 . . . . 0.0 111.221 177.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.17 -52.51 65.02 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 124.693 1.197 . . . . 0.0 113.39 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 m -66.44 -35.12 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.721 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -67.21 -45.0 78.18 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 119.591 1.087 . . . . 0.0 112.31 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -62.5 -32.32 73.22 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.6 mt -63.73 -52.11 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 CA-C-N 119.549 1.068 . . . . 0.0 109.018 177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.41 -40.72 85.61 Favored 'General case' 0 CA--C 1.567 1.633 0 CA-C-O 117.622 -1.18 . . . . 0.0 112.968 177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -57.0 -48.6 78.07 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 120.271 1.396 . . . . 0.0 114.226 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -61.48 -38.3 86.78 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 114.895 1.443 . . . . 0.0 114.895 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.1 mt -67.53 -54.45 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.792 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.262 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -68.14 -39.43 82.69 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.72 -50.17 52.96 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-N 119.278 0.944 . . . . 0.0 113.423 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.61 -65.96 2.34 Favored Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.756 0.707 . . . . 0.0 114.682 177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -80.54 -71.51 0.46 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 117.381 0.59 . . . . 0.0 110.783 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -86.84 124.23 32.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 118.102 -2.873 . . . . 0.0 109.585 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -53.52 -39.65 64.82 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.9 2.556 . . . . 0.0 117.9 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.74 -54.67 19.43 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 124.106 0.962 . . . . 0.0 110.21 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.9 m -53.66 -49.18 68.5 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.25 -46.32 90.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -68.9 -41.26 78.51 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 67.6 t -58.95 -45.78 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 CA-C-N 120.262 1.392 . . . . 0.0 110.77 177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -52.09 66.21 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 124.842 1.257 . . . . 0.0 113.319 177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.0 m -66.42 -34.29 69.16 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.801 0 N-CA-C 113.917 1.081 . . . . 0.0 113.917 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -67.64 -42.79 81.69 Favored 'General case' 0 N--CA 1.492 1.675 0 CA-C-N 119.215 0.916 . . . . 0.0 112.765 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -65.42 -34.4 78.21 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.3 mt -62.83 -50.85 78.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 CA-C-N 119.761 1.164 . . . . 0.0 109.571 177.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -66.85 -41.46 87.35 Favored 'General case' 0 CA--C 1.567 1.608 0 CA-C-O 117.289 -1.339 . . . . 0.0 112.474 177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.97 -44.26 86.98 Favored 'General case' 0 N--CA 1.497 1.877 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -63.71 -41.4 98.1 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 47.5 mt -68.45 -53.03 30.8 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.834 0 C-N-CA 124.066 0.946 . . . . 0.0 111.284 178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -43.38 88.31 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -71.7 -47.25 55.24 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.11 -66.93 2.06 Favored Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.914 0.779 . . . . 0.0 114.689 177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -79.53 -69.14 0.6 Allowed 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 117.368 0.584 . . . . 0.0 111.443 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.22 0 O-C-N 118.99 -2.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.238 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -92.12 125.58 36.85 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 123.983 0.802 . . . . 0.0 109.652 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.271 24.7 tt0 71.31 -40.49 0.48 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.4 t -70.68 -56.03 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.408 0 C-N-CA 124.842 1.257 . . . . 0.0 111.103 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 56.4 m -53.0 -49.33 66.4 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.92 -46.68 89.68 Favored 'General case' 0 N--CA 1.493 1.675 0 N-CA-C 115.394 1.627 . . . . 0.0 115.394 177.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.2 ttt-85 -69.09 -41.7 77.13 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 117.593 -1.194 . . . . 0.0 114.123 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.2 t -55.23 -45.58 77.61 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.496 1.498 . . . . 0.0 111.474 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -57.17 -53.47 57.7 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.644 1.177 . . . . 0.0 113.028 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 m -65.83 -34.03 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.771 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -67.47 -44.77 77.79 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 124.202 1.001 . . . . 0.0 112.366 177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -63.21 -34.36 77.47 Favored 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 177.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.9 mt -59.24 -46.77 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 C-N-CA 124.288 1.035 . . . . 0.0 110.064 177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.63 -36.05 82.53 Favored 'General case' 0 CA--C 1.571 1.788 0 CA-C-O 117.888 -1.053 . . . . 0.0 112.75 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -57.85 -50.14 74.32 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-N 120.301 1.409 . . . . 0.0 114.049 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.6 t60 -67.68 -37.66 82.66 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 177.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.6 mt -74.88 -58.85 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -57.32 -54.34 47.92 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.33 -46.79 59.76 Favored 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.14 -81.8 0.71 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-O 119.154 -0.804 . . . . 0.0 114.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -160.81 -67.42 0.06 Allowed 'General case' 0 N--CA 1.494 1.735 0 CA-C-N 117.638 0.719 . . . . 0.0 109.855 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 O-C-N 119.052 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.287 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -84.31 119.67 25.35 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 123.963 0.789 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.93 -37.4 66.36 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.4 t -67.24 -54.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 C-N-CA 124.093 0.957 . . . . 0.0 111.0 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.8 p -55.29 -48.9 73.39 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -62.62 -47.36 84.12 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 115.419 1.637 . . . . 0.0 115.419 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -69.66 -41.03 76.06 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -59.48 -44.49 93.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.32 1.418 . . . . 0.0 110.644 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.91 68.9 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.05 1.34 . . . . 0.0 113.519 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -67.6 -34.05 65.83 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.813 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -69.56 -42.71 74.17 Favored 'General case' 0 CA--C 1.567 1.617 0 CA-C-N 119.167 0.894 . . . . 0.0 112.964 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -64.46 -39.78 94.47 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 114.235 1.198 . . . . 0.0 114.235 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.95 -49.59 82.98 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.071 0 CA-C-N 119.364 0.984 . . . . 0.0 109.161 177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.48 -40.55 97.39 Favored 'General case' 0 CA--C 1.568 1.664 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.15 -50.15 74.82 Favored 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -62.53 -45.35 93.39 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 56.1 mt -64.87 -46.16 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.975 0 C-N-CA 123.78 0.832 . . . . 0.0 111.687 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -60.5 -50.29 74.17 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -66.36 -34.55 78.21 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 177.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.91 -73.97 1.08 Allowed Glycine 0 CA--C 1.542 1.742 0 CA-C-N 119.417 1.008 . . . . 0.0 112.907 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -79.48 -68.84 0.63 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.173 0.589 . . . . 0.0 111.349 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.212 0 O-C-N 119.044 -2.285 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -85.31 131.57 34.39 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 118.188 -2.82 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.87 -37.6 69.01 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 117.916 2.562 . . . . 0.0 117.916 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.4 t -68.71 -54.78 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 124.012 0.925 . . . . 0.0 110.297 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 94.3 p -54.35 -47.69 72.28 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -61.56 -46.43 89.92 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -68.82 -40.85 79.27 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 65.5 t -58.39 -45.24 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.043 0 CA-C-N 120.246 1.385 . . . . 0.0 110.921 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.09 -51.17 68.83 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 125.039 1.335 . . . . 0.0 113.495 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.3 m -67.24 -33.58 63.77 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.816 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -69.07 -43.85 73.74 Favored 'General case' 0 CA--C 1.566 1.586 0 CA-C-N 119.202 0.91 . . . . 0.0 112.623 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.19 -38.45 91.09 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.33 -49.48 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-N 119.733 1.151 . . . . 0.0 108.948 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -63.3 -43.66 97.22 Favored 'General case' 0 CA--C 1.567 1.601 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.976 177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -59.16 -48.03 83.1 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 119.957 1.253 . . . . 0.0 114.295 177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -60.39 -39.25 86.62 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.93 -53.69 24.73 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.794 0 CA-C-O 118.131 -0.938 . . . . 0.0 111.194 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -66.79 -40.91 88.31 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.95 -49.88 47.46 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.83 -66.96 2.02 Favored Glycine 0 CA--C 1.545 1.937 0 CA-C-N 118.83 0.741 . . . . 0.0 114.809 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -77.37 -67.6 0.7 Allowed 'General case' 0 N--CA 1.492 1.629 0 CA-C-N 117.371 0.586 . . . . 0.0 111.778 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 O-C-N 119.04 -2.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -88.32 124.85 34.31 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 118.148 -2.845 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -52.69 -41.83 64.23 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.6 t -66.24 -54.6 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 C-N-CA 124.004 0.921 . . . . 0.0 110.839 177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -54.54 -49.79 69.46 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -61.98 -47.54 84.38 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -68.8 -41.08 79.19 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.2 t -59.46 -44.55 93.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.048 0 CA-C-N 120.356 1.434 . . . . 0.0 110.766 177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.83 -51.28 68.04 Favored 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 125.046 1.338 . . . . 0.0 113.581 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.27 -33.01 60.07 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.864 0 N-CA-C 114.028 1.122 . . . . 0.0 114.028 178.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -68.33 -43.39 77.65 Favored 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.156 0.982 . . . . 0.0 112.797 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -65.89 -38.64 89.3 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.42 -47.98 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.143 0 CA-C-N 119.633 1.106 . . . . 0.0 109.178 177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.05 -45.72 92.3 Favored 'General case' 0 CA--C 1.566 1.581 0 CA-C-O 117.689 -1.148 . . . . 0.0 112.376 177.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -59.06 -42.82 91.26 Favored 'General case' 0 N--CA 1.495 1.809 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -65.94 -41.79 90.85 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.61 -52.93 31.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 CA-C-O 117.925 -1.036 . . . . 0.0 111.452 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 59.1 pttt -64.56 -38.94 92.76 Favored 'General case' 0 N--CA 1.496 1.837 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -71.58 -50.75 28.01 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 119.179 0.9 . . . . 0.0 113.292 177.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.39 -67.8 1.8 Allowed Glycine 0 CA--C 1.544 1.899 0 CA-C-N 118.924 0.784 . . . . 0.0 114.859 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -74.84 -66.07 0.79 Allowed 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 123.18 0.592 . . . . 0.0 112.117 178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.104 -2.247 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -84.45 120.81 26.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 123.997 0.811 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -50.93 -42.55 59.73 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 117.488 2.403 . . . . 0.0 117.488 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -66.11 -53.91 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 C-N-CA 123.903 0.881 . . . . 0.0 110.94 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.7 m -54.46 -50.3 68.04 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 177.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.0 -47.27 85.53 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -69.38 -41.24 76.75 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.2 -44.63 92.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.396 1.453 . . . . 0.0 110.743 177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -55.62 -50.8 69.18 Favored 'General case' 0 CA--C 1.562 1.423 0 C-N-CA 125.124 1.37 . . . . 0.0 113.554 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 m -67.72 -34.1 65.76 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.791 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 178.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -69.32 -42.98 74.66 Favored 'General case' 0 CA--C 1.567 1.604 0 CA-C-N 119.175 0.898 . . . . 0.0 112.892 177.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -64.73 -39.22 93.27 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.8 mt -62.94 -49.49 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.101 0 CA-C-N 119.554 1.07 . . . . 0.0 109.023 177.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 77.3 mt -62.88 -43.94 97.45 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-O 117.942 -1.028 . . . . 0.0 112.971 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.16 -45.77 83.35 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -65.38 -40.03 92.99 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 177.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.8 mt -67.46 -53.88 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 CA-C-O 117.845 -1.074 . . . . 0.0 111.53 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -65.74 -37.83 87.46 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.245 1.943 . . . . 0.0 116.245 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -70.22 -50.8 36.22 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 119.335 0.97 . . . . 0.0 113.253 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.99 -67.39 1.9 Allowed Glycine 0 CA--C 1.545 1.935 0 CA-C-N 118.866 0.757 . . . . 0.0 114.707 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -76.41 -67.49 0.69 Allowed 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 123.116 0.566 . . . . 0.0 111.867 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.05 -2.281 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.308 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -82.95 142.91 31.05 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 123.932 0.77 . . . . 0.0 111.657 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -49.33 -40.73 36.39 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.15 -53.67 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 C-N-CA 123.887 0.875 . . . . 0.0 111.137 177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -50.67 68.57 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.79 -47.24 86.05 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.591 1.7 . . . . 0.0 115.591 179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -69.71 -40.77 76.07 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 114.557 1.317 . . . . 0.0 114.557 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.82 -44.96 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.437 1.471 . . . . 0.0 110.629 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -56.13 -50.76 70.2 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.125 1.37 . . . . 0.0 113.677 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.35 -33.46 62.74 Favored 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -68.91 -44.18 73.66 Favored 'General case' 0 CA--C 1.566 1.592 0 C-N-CA 123.983 0.913 . . . . 0.0 112.677 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.86 -38.9 92.52 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.13 -49.36 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 CA-C-N 119.604 1.093 . . . . 0.0 109.276 177.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.58 -41.75 96.07 Favored 'General case' 0 CA--C 1.567 1.622 0 CA-C-O 118.161 -0.924 . . . . 0.0 113.411 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -61.87 -44.7 96.27 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -67.35 -44.53 78.82 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.9 mt -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.631 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -63.93 -50.42 68.76 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.36 -46.69 72.61 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.18 -69.64 1.34 Allowed Glycine 0 CA--C 1.544 1.885 0 CA-C-N 119.039 0.836 . . . . 0.0 114.962 177.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.75 -68.42 0.63 Allowed 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 123.118 0.567 . . . . 0.0 111.862 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 O-C-N 118.98 -2.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.248 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.47 -174.72 5.34 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 124.006 0.816 . . . . 0.0 112.759 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -54.96 -39.58 69.07 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.81 -55.88 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 124.509 1.124 . . . . 0.0 109.881 177.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -52.39 -48.62 65.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -60.41 -46.53 89.67 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -68.97 -40.59 78.77 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.414 1.264 . . . . 0.0 114.414 177.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.48 -44.89 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 CA-C-N 120.306 1.412 . . . . 0.0 110.969 177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.13 -51.16 68.94 Favored 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 125.104 1.362 . . . . 0.0 113.606 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.22 -33.21 61.41 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.818 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -69.2 -46.78 66.59 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.952 0.901 . . . . 0.0 112.205 177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -61.96 -37.62 85.42 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 96.2 mt -63.33 -48.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 CA-C-N 119.634 1.106 . . . . 0.0 109.046 177.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.94 -45.34 92.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 117.709 -1.139 . . . . 0.0 112.917 177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -59.46 -41.14 89.03 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -66.76 -43.5 83.9 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 177.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.7 mt -64.97 -51.3 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 CA-C-O 117.971 -1.014 . . . . 0.0 111.545 178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.76 -37.71 85.29 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 177.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -69.75 -51.12 36.89 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.21 -68.77 1.53 Allowed Glycine 0 CA--C 1.545 1.908 0 CA-C-N 118.911 0.778 . . . . 0.0 114.582 177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -76.87 -67.87 0.66 Allowed 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 123.187 0.595 . . . . 0.0 111.964 177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 O-C-N 119.005 -2.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -84.09 119.98 25.61 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 123.981 0.8 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -51.47 -41.56 60.99 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.887 2.551 . . . . 0.0 117.887 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -68.13 -54.71 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 123.944 0.898 . . . . 0.0 110.55 177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.82 70.35 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.77 -46.14 91.62 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.28 -41.3 77.01 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 59.4 t -58.25 -45.48 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 CA-C-N 120.21 1.368 . . . . 0.0 110.82 177.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.19 -52.28 64.97 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.891 1.277 . . . . 0.0 113.206 177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -66.23 -34.18 68.43 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.765 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -67.87 -43.47 79.31 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 119.191 0.905 . . . . 0.0 112.672 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -64.97 -33.95 77.28 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.29 -51.61 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.017 0 CA-C-N 119.823 1.192 . . . . 0.0 109.506 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.9 mp -67.57 -38.64 84.39 Favored 'General case' 0 CA--C 1.569 1.68 0 CA-C-O 117.816 -1.088 . . . . 0.0 113.068 177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.83 -47.69 85.2 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 120.439 1.472 . . . . 0.0 114.875 177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -68.92 -39.18 79.77 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 115.195 1.554 . . . . 0.0 115.195 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.6 mt -74.95 -59.03 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.937 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.5 tptt -57.09 -54.28 48.52 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.73 -46.26 59.14 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.9 -81.96 0.69 Allowed Glycine 0 CA--C 1.543 1.815 0 CA-C-O 119.133 -0.815 . . . . 0.0 114.818 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -160.11 -68.04 0.07 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 117.624 0.712 . . . . 0.0 109.731 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.186 0 O-C-N 119.03 -2.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -144.33 120.76 10.99 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 118.103 -2.873 . . . . 0.0 107.478 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -54.41 -39.8 67.64 Favored 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -67.73 -54.16 25.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 C-N-CA 124.017 0.927 . . . . 0.0 110.557 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.5 m -52.99 -49.5 66.05 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 177.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -60.28 -45.07 94.62 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 115.451 1.649 . . . . 0.0 115.451 177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -70.38 -42.24 71.99 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-O 117.523 -1.227 . . . . 0.0 113.898 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.64 -45.96 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 CA-C-N 120.606 1.548 . . . . 0.0 111.632 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -58.18 -53.17 61.26 Favored 'General case' 0 CA--C 1.562 1.406 0 C-N-CA 124.564 1.145 . . . . 0.0 113.242 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.42 -32.92 60.24 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.86 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -67.92 -44.32 77.16 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 124.311 1.044 . . . . 0.0 112.222 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -64.15 -36.31 83.61 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.4 mt -59.31 -45.4 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.148 0 CA-C-N 119.405 1.002 . . . . 0.0 109.896 177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -59.49 -44.1 93.14 Favored 'General case' 0 CA--C 1.569 1.679 0 C-N-CA 124.119 0.967 . . . . 0.0 112.339 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -53.55 -48.09 69.44 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 114.673 1.361 . . . . 0.0 114.673 177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -64.12 -39.7 94.59 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.13 -53.61 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 C-N-CA 123.981 0.912 . . . . 0.0 111.315 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -64.15 -40.41 96.09 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 115.953 1.835 . . . . 0.0 115.953 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -69.48 -50.05 49.01 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 119.131 0.878 . . . . 0.0 113.08 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.43 -67.4 1.84 Allowed Glycine 0 CA--C 1.545 1.949 0 CA-C-O 118.978 -0.901 . . . . 0.0 114.775 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? 87.76 -63.39 0.03 OUTLIER 'General case' 0 N--CA 1.514 2.769 0 C-N-CA 124.726 1.211 . . . . 0.0 110.388 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 O-C-N 119.203 -2.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.292 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -83.98 120.43 26.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 124.009 0.818 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -51.62 -41.55 61.35 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 117.835 2.531 . . . . 0.0 117.835 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 51.2 t -68.1 -54.71 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 C-N-CA 123.915 0.886 . . . . 0.0 110.541 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.8 t -54.12 -48.8 70.38 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -60.94 -45.75 93.45 Favored 'General case' 0 N--CA 1.495 1.808 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -69.71 -41.58 75.19 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 77.0 t -58.72 -45.21 91.13 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 120.445 1.475 . . . . 0.0 110.736 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.53 -52.71 63.73 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 124.82 1.248 . . . . 0.0 113.071 177.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.8 m -65.86 -33.07 61.13 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -69.13 -42.8 75.56 Favored 'General case' 0 CA--C 1.569 1.684 0 C-N-CA 123.89 0.876 . . . . 0.0 112.531 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -64.26 -36.12 83.06 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -59.2 -45.74 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 C-N-CA 124.222 1.009 . . . . 0.0 109.91 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 69.6 mt -59.62 -40.27 86.99 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 124.214 1.006 . . . . 0.0 112.98 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -56.59 -51.71 67.59 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 124.303 1.041 . . . . 0.0 113.729 177.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -61.65 -43.6 98.55 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.51 -46.02 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.901 0 C-N-CA 123.797 0.839 . . . . 0.0 111.477 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -60.99 -49.09 78.86 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -66.39 -37.27 84.87 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.59 -71.64 1.27 Allowed Glycine 0 CA--C 1.542 1.777 0 CA-C-N 119.295 0.952 . . . . 0.0 113.349 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -74.75 -67.64 0.62 Allowed 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 123.35 0.66 . . . . 0.0 112.019 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.226 0 O-C-N 119.051 -2.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -144.01 145.51 32.26 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 118.043 -2.911 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.263 21.2 tt0 66.48 -14.08 0.16 Allowed 'General case' 0 CA--C 1.575 1.936 0 N-CA-C 118.432 2.752 . . . . 0.0 118.432 177.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.41 -52.6 31.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 CA-C-N 120.037 1.289 . . . . 0.0 111.117 177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.1 t -52.24 -50.25 62.39 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -60.86 -47.06 88.12 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -69.61 -41.08 76.18 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 178.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 78.5 t -58.73 -45.1 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 CA-C-N 120.349 1.432 . . . . 0.0 110.977 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.07 -50.87 69.78 Favored 'General case' 0 CA--C 1.561 1.386 0 C-N-CA 125.117 1.367 . . . . 0.0 113.587 177.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 m -67.34 -33.61 63.73 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.843 0 N-CA-C 113.952 1.093 . . . . 0.0 113.952 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -68.98 -43.86 74.07 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 123.9 0.88 . . . . 0.0 112.722 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -64.55 -39.77 94.36 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.12 -50.06 80.84 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.62 1.1 . . . . 0.0 109.087 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.1 mt -62.74 -42.48 99.69 Favored 'General case' 0 CA--C 1.567 1.618 0 CA-C-O 118.103 -0.951 . . . . 0.0 113.302 177.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -57.42 -49.13 77.23 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -61.55 -43.05 99.56 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.4 mt -64.0 -50.21 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 C-N-CA 123.935 0.894 . . . . 0.0 111.835 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -63.34 -45.15 92.59 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -65.8 -35.86 81.89 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 115.564 1.691 . . . . 0.0 115.564 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.06 -72.86 1.21 Allowed Glycine 0 CA--C 1.543 1.802 0 CA-C-N 119.314 0.961 . . . . 0.0 112.686 177.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.13 -70.42 0.52 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.205 0.602 . . . . 0.0 111.254 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.197 0 O-C-N 118.999 -2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.033 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -145.1 141.68 29.02 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 118.043 -2.911 . . . . 0.0 109.862 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.267 27.5 tt0 71.26 -52.84 0.68 Allowed 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.937 1.695 . . . . 0.0 115.128 177.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.6 t -70.73 -56.78 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 C-N-CA 124.914 1.286 . . . . 0.0 109.778 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.3 p -52.52 -48.39 66.07 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 177.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.97 -46.83 87.54 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -68.92 -40.78 78.85 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.0 t -59.17 -45.99 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.034 0 CA-C-N 120.16 1.345 . . . . 0.0 110.825 177.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.33 -50.43 71.48 Favored 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 125.072 1.349 . . . . 0.0 113.764 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.2 m -68.24 -33.61 61.58 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.804 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -69.14 -44.33 72.53 Favored 'General case' 0 CA--C 1.566 1.568 0 CA-C-O 118.135 -0.936 . . . . 0.0 112.506 177.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -63.48 -39.18 93.78 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.36 -50.28 79.39 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 119.634 1.107 . . . . 0.0 109.014 177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.78 -41.73 99.38 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 118.076 -0.964 . . . . 0.0 113.465 177.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -58.24 -49.52 76.8 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -61.67 -41.29 97.35 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 51.8 mt -64.99 -51.32 68.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.593 178.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -62.3 -42.49 99.41 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.72 1.748 . . . . 0.0 115.72 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -69.28 -35.95 76.57 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 -70.74 1.33 Allowed Glycine 0 CA--C 1.543 1.819 0 CA-C-O 119.019 -0.878 . . . . 0.0 113.376 177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.3 tttt 86.33 -59.01 0.06 Allowed 'General case' 0 N--CA 1.513 2.725 0 C-N-CA 124.8 1.24 . . . . 0.0 111.806 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -81.7 143.99 31.47 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 123.938 0.774 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.21 -42.44 51.49 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -64.77 -53.09 46.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 C-N-CA 123.85 0.86 . . . . 0.0 111.441 177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -55.28 -49.81 71.13 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.45 -47.25 86.56 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 115.642 1.719 . . . . 0.0 115.642 178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -68.82 -41.37 78.67 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.7 -44.72 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 CA-C-N 120.431 1.469 . . . . 0.0 110.86 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.85 -51.26 68.15 Favored 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 125.063 1.345 . . . . 0.0 113.478 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 m -67.28 -33.76 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.841 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -69.21 -44.04 72.89 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 123.866 0.867 . . . . 0.0 112.732 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.1 mt -63.37 -47.1 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.123 0 CA-C-N 119.563 1.074 . . . . 0.0 109.315 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -43.89 91.21 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-O 117.747 -1.121 . . . . 0.0 112.741 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -62.84 -40.57 97.85 Favored 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -68.42 -49.01 63.05 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.767 1.025 . . . . 0.0 113.767 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.6 mt -70.44 -59.7 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.006 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -67.67 -61.59 1.81 Allowed 'General case' 0 N--CA 1.492 1.628 0 CA-C-N 120.201 1.364 . . . . 0.0 114.541 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -72.07 -35.98 69.43 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.63 -58.6 3.24 Favored Glycine 0 CA--C 1.545 1.962 0 CA-C-N 120.37 1.441 . . . . 0.0 115.538 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -70.81 0.53 Allowed 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 118.204 1.002 . . . . 0.0 111.089 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 O-C-N 118.986 -2.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.264 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.56 119.42 38.03 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 124.184 0.927 . . . . 0.0 109.062 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.27 25.4 tt0 71.97 -41.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 116.331 1.975 . . . . 0.0 116.331 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.56 -56.26 11.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 C-N-CA 124.784 1.233 . . . . 0.0 111.012 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.9 m -54.8 -48.56 72.6 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.4 -46.98 87.89 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 115.643 1.72 . . . . 0.0 115.643 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -68.1 -40.32 82.63 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 177.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 69.3 t -59.18 -45.12 93.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 CA-C-N 120.272 1.396 . . . . 0.0 110.942 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.0 -50.89 69.61 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.102 1.361 . . . . 0.0 113.686 177.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.5 m -67.66 -33.02 59.42 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.808 0 N-CA-C 113.915 1.08 . . . . 0.0 113.915 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -69.41 -43.81 72.67 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-N 119.126 0.875 . . . . 0.0 112.639 177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -64.32 -39.56 94.15 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.99 -50.01 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 CA-C-N 119.549 1.068 . . . . 0.0 109.104 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.22 -42.23 99.22 Favored 'General case' 0 CA--C 1.566 1.587 0 CA-C-O 118.091 -0.956 . . . . 0.0 113.274 177.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -56.92 -49.61 75.07 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 114.668 1.359 . . . . 0.0 114.668 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -62.47 -42.6 99.59 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 177.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.62 -51.98 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 CA-C-O 118.126 -0.94 . . . . 0.0 111.355 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -59.3 -44.9 92.48 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 p30 -68.4 -33.52 74.38 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 115.468 1.655 . . . . 0.0 115.468 177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -85.37 -82.78 1.06 Allowed Glycine 0 CA--C 1.542 1.751 0 CA-C-N 119.402 1.001 . . . . 0.0 112.949 177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -155.83 -87.75 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.232 0 O-C-N 118.539 -2.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -85.46 123.09 30.51 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 118.176 -2.827 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -54.1 -39.64 66.55 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -179.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -68.08 -54.63 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 124.124 0.97 . . . . 0.0 110.426 177.738 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.3 m -53.06 -49.29 66.64 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 177.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -60.82 -45.49 94.26 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 115.432 1.641 . . . . 0.0 115.432 177.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.1 ttt-85 -69.6 -41.07 76.21 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.62 -46.44 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.045 0 CA-C-N 120.305 1.411 . . . . 0.0 111.373 177.58 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.41 -51.2 70.37 Favored 'General case' 0 CA--C 1.561 1.366 0 C-N-CA 124.922 1.289 . . . . 0.0 113.716 177.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -68.3 -33.36 60.09 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -69.14 -46.52 67.4 Favored 'General case' 0 CA--C 1.564 1.492 0 CA-C-O 117.895 -1.05 . . . . 0.0 112.121 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -61.39 -38.98 88.99 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 115.263 1.579 . . . . 0.0 115.263 177.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.47 -49.66 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-N 119.555 1.07 . . . . 0.0 109.165 177.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.91 -43.82 91.6 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-O 117.889 -1.053 . . . . 0.0 113.341 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -58.35 -44.94 89.0 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 179.31 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -64.34 -40.63 96.27 Favored 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 177.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.8 mt -68.13 -51.72 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.419 178.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 -43.25 96.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 179.107 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -74.28 -47.88 32.07 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 178.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.03 -66.09 2.39 Favored Glycine 0 CA--C 1.545 1.947 0 CA-C-N 119.066 0.848 . . . . 0.0 114.986 177.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.5 -69.16 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 117.338 0.569 . . . . 0.0 111.106 178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 O-C-N 119.011 -2.306 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -133.13 119.04 19.43 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . 0.269 26.8 tt0 72.24 -45.16 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 178.013 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -70.22 -56.71 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 124.866 1.266 . . . . 0.0 110.41 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.2 p -52.18 -48.46 65.0 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 115.524 1.675 . . . . 0.0 115.524 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -62.25 -47.5 84.12 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 177.885 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -68.01 -40.6 82.98 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 177.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -59.09 -44.77 92.27 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.003 0 CA-C-N 120.299 1.409 . . . . 0.0 110.815 177.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.95 -52.19 65.02 Favored 'General case' 0 CA--C 1.561 1.402 0 C-N-CA 124.931 1.293 . . . . 0.0 113.193 177.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 m -66.78 -33.86 66.22 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.812 0 N-CA-C 113.85 1.055 . . . . 0.0 113.85 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -69.21 -42.84 75.21 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 119.268 0.94 . . . . 0.0 112.873 177.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -65.01 -34.84 79.39 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.81 -51.74 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-N 119.766 1.166 . . . . 0.0 109.46 177.478 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -66.45 -40.87 89.67 Favored 'General case' 0 CA--C 1.567 1.626 0 CA-C-O 117.555 -1.212 . . . . 0.0 112.784 177.558 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -57.58 -46.16 84.32 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 120.431 1.469 . . . . 0.0 114.752 177.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 177.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 48.6 mt -67.92 -52.44 39.33 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.789 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.324 178.178 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -43.48 91.73 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 116.129 1.9 . . . . 0.0 116.129 179.312 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -73.0 -47.28 46.56 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.34 -66.94 2.08 Favored Glycine 0 CA--C 1.545 1.965 0 CA-C-N 119.02 0.827 . . . . 0.0 114.881 177.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -78.89 -67.48 0.75 Allowed 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 117.367 0.584 . . . . 0.0 111.737 178.098 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.205 0 O-C-N 119.015 -2.303 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_