data_6pez_residue ############################ # Computer software used # ############################ 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 6pez _Structure_validation_residue.Date_analyzed 2019-10-11 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 ' 1' ' ' PHE . . . . . 0.522 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.522 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.464 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.52 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.52 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.441 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.441 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.523 ' H3 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.415 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.523 ' CE1' ' H3 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt . . . . . 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.404 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.486 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.486 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.442 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.442 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.505 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.51 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.51 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.522 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.522 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.423 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.63 -40.27 96.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -65.88 -50.37 64.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.24 91.22 0.11 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.761 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.464 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.464 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -40.61 97.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.616 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.1 -79.19 1.93 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 120.0 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.52 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.52 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -63.02 -41.95 99.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -66.7 -48.43 69.28 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.12 1.5 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 119.815 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.441 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.28 -35.33 80.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -72.65 169.4 16.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.25 160.56 28.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.71 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.523 ' H3 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.415 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.523 ' CE1' ' H3 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.415 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.96 -39.5 94.28 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.3 -46.38 87.02 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.288 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.34 65.18 0.03 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.404 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.78 -40.54 97.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.1 m -64.76 -48.47 74.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.961 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.57 -114.63 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.789 -2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.486 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.486 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.65 -40.19 96.24 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 m -63.66 -47.63 80.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.85 61.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.74 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.442 ' H1 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.442 ' CE1' ' H1 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.419 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.21 -36.77 84.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.1 p -64.03 -48.45 76.29 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.665 0.269 . . . . 0.0 111.256 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.11 60.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.743 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.505 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -64.07 -40.83 97.12 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -63.99 -48.61 75.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.374 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.73 149.3 6.18 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.536 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.51 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.51 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt -64.78 -41.18 96.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 p -68.51 -50.11 54.61 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.78 115.03 0.44 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.757 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 6' ' ' PHE . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 38.0 mt . . . . . 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.414 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.426 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.448 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.63 -40.27 96.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -65.88 -50.37 64.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.24 91.22 0.11 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.761 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -40.61 97.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.616 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.1 -79.19 1.93 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 120.0 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -63.02 -41.95 99.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -66.7 -48.43 69.28 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.12 1.5 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 119.815 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.28 -35.33 80.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -72.65 169.4 16.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.25 160.56 28.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.71 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 6' ' ' PHE . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 38.0 mt -63.96 -39.5 94.28 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.3 -46.38 87.02 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.288 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.34 65.18 0.03 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.78 -40.54 97.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 17' ' ' GLY . 18.1 m -64.76 -48.47 74.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.961 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.57 -114.63 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.789 -2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.65 -40.19 96.24 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 m -63.66 -47.63 80.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.85 61.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.74 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' THR . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.21 -36.77 84.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' GLY . 48.1 p -64.03 -48.45 76.29 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.665 0.269 . . . . 0.0 111.256 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.11 60.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.743 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -64.07 -40.83 97.12 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -63.99 -48.61 75.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.374 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.73 149.3 6.18 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.536 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt -64.78 -41.18 96.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 p -68.51 -50.11 54.61 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.78 115.03 0.44 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.757 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp . . . . . 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp . . . . . 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.421 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 6' ' ' PHE . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 38.0 mt . . . . . 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.414 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt . . . . . 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.426 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.448 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.448 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt . . . . . 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 . . . . . 0 N--CA 1.496 1.861 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 79.3 mt -64.42 -44.39 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-O 120.788 0.328 . . . . 0.0 110.995 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.26 -34.22 77.51 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -65.74 -39.23 90.9 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.15 -43.36 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.828 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.25 -41.86 99.12 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.38 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.12 -37.86 88.82 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.247 179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.68 -35.69 92.35 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.9 mm -64.18 -43.82 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 120.792 0.329 . . . . 0.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.81 -43.79 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' ND1' ' NH2' ' A' ' 14' ' ' ARG . 77.6 m-70 -64.88 -40.5 95.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.863 0.364 . . . . 0.0 110.69 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.85 98.99 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.417 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.05 -45.35 96.27 Favored Glycine 0 N--CA 1.47 0.936 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' NH2' ' ND1' ' A' ' 11' ' ' HIS . 44.2 mtm-85 -61.47 -41.3 97.04 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.752 0.31 . . . . 0.0 110.246 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 16.4 m -61.73 -42.87 99.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.42 -43.96 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.682 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.48 -34.37 89.0 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -61.23 -45.58 93.94 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 120.671 0.272 . . . . 0.0 111.08 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.424 ' HD1' ' O ' ' A' ' 15' ' ' SER . 55.0 m-85 -68.33 -41.4 80.83 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.946 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 38.2 tp -63.63 -40.27 96.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.467 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.9 m -65.88 -50.37 64.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -160.24 91.22 0.11 Allowed Glycine 0 CA--C 1.529 0.918 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.761 -2.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 N--CA 1.498 1.932 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.76 -44.54 96.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 120.948 0.404 . . . . 0.0 110.895 179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -64.84 -33.56 76.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.008 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -66.92 -39.88 87.51 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.577 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -63.2 -43.49 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -67.94 -37.5 81.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.293 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.469 ' HE ' ' CE1' ' A' ' 11' ' ' HIS . 5.0 ttp180 -66.17 -40.49 90.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.29 -34.49 89.39 Favored Glycine 0 N--CA 1.471 1.014 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -63.73 -44.16 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.715 0.293 . . . . 0.0 110.396 179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.0 t -61.22 -45.02 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.469 ' CE1' ' HE ' ' A' ' 7' ' ' ARG . 46.4 m170 -66.19 -39.63 89.83 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.705 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.5 -42.42 99.49 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.659 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.46 -40.97 99.76 Favored Glycine 0 N--CA 1.473 1.124 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -61.4 -40.19 93.44 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 80.3 p -65.39 -38.73 90.9 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.863 0.363 . . . . 0.0 110.983 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.24 -44.84 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.768 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.99 -34.43 89.88 Favored Glycine 0 N--CA 1.47 0.964 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -41.3 84.32 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.668 0.27 . . . . 0.0 110.606 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -68.82 -43.46 75.52 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.765 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.6 -40.61 97.37 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.055 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -50.1 64.73 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.616 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.1 -79.19 1.93 Allowed Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.58 0 O-C-N 120.0 -1.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.456 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 95.1 m-85 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.4 mt -66.17 -44.65 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.01 0.433 . . . . 0.0 110.883 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.33 -34.37 77.83 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 77.6 m80 -64.62 -41.48 96.15 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.856 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.3 mm -63.97 -43.61 97.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.221 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -66.86 -39.03 87.43 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.647 0.26 . . . . 0.0 111.293 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.21 -41.88 99.21 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.406 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.82 -35.22 91.73 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.628 -0.589 . . . . 0.0 111.628 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.3 mt -64.73 -44.5 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 120.878 0.37 . . . . 0.0 110.474 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.8 t -62.9 -44.69 99.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.974 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -65.81 -40.83 92.26 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.0 0.429 . . . . 0.0 110.679 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.28 -39.55 87.26 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.792 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.06 -40.38 99.18 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -62.91 -41.84 99.59 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 120.928 0.394 . . . . 0.0 110.102 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.8 m -62.32 -42.57 99.48 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.03 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.62 -44.23 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.779 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.9 -36.18 91.77 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.423 -0.671 . . . . 0.0 111.423 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.8 tpt85 -67.51 -43.02 81.88 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.576 0.227 . . . . 0.0 110.757 179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -67.98 -44.07 77.52 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 120.828 0.347 . . . . 0.0 110.821 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.8 tp -63.02 -41.95 99.66 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.276 -179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 p -66.7 -48.43 69.28 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.217 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.14 -86.12 1.5 Allowed Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.496 0 O-C-N 119.815 -1.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.8 -44.64 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 120.875 0.369 . . . . 0.0 111.194 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.0 m80 -67.25 -34.78 78.17 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.551 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -62.22 -41.29 98.26 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.51 -42.74 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.892 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -63.79 -42.43 97.75 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.89 -38.8 92.18 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.555 0.217 . . . . 0.0 111.57 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.33 91.86 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.7 mm -64.35 -43.93 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-O 120.787 0.327 . . . . 0.0 110.154 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.02 -45.0 99.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.019 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -65.34 -41.55 93.79 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.669 0.271 . . . . 0.0 110.913 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.26 -39.73 83.76 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.51 -41.05 99.82 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -62.72 -42.91 99.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.815 0.34 . . . . 0.0 110.327 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 45.2 m -62.53 -43.14 99.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.209 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.83 -43.91 97.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.783 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.2 -35.16 91.63 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -40.25 85.85 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -62.05 -35.64 79.22 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.278 0.361 . . . . 0.0 111.138 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.1 mt -64.28 -35.33 80.5 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.013 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.2 p -72.65 169.4 16.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.934 0.397 . . . . 0.0 111.147 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.25 160.56 28.3 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.71 -2.053 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.421 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 84.9 m-85 . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' O ' ' HD2' ' A' ' 6' ' ' PHE . 97.4 mt -65.9 -44.5 92.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-O 120.898 0.38 . . . . 0.0 110.954 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -65.67 -34.48 78.32 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.421 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.8 m80 -65.66 -41.42 92.56 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.033 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.28 -43.72 97.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.285 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.416 ' HD2' ' O ' ' A' ' 2' ' ' ILE . 49.5 m-85 -68.0 -37.48 81.5 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.529 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.22 -40.73 98.3 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.21 -34.64 90.51 Favored Glycine 0 CA--C 1.533 1.198 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 6' ' ' PHE . 86.3 mt -64.14 -43.53 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.936 0.398 . . . . 0.0 110.326 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.34 -44.46 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -66.66 -39.77 88.34 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.984 0.421 . . . . 0.0 110.383 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -45.72 89.98 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.507 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.09 -40.58 97.04 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -61.43 -44.33 97.31 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.021 0.439 . . . . 0.0 109.868 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.9 m -61.9 -42.32 98.93 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.006 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.5 mm -63.7 -43.84 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.757 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.59 -34.52 90.11 Favored Glycine 0 CA--C 1.532 1.146 0 N-CA-C 111.361 -0.696 . . . . 0.0 111.361 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -64.33 -44.09 92.61 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.674 0.273 . . . . 0.0 111.08 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -67.87 -42.67 80.92 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.978 179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 20' ' ' LEU . 38.0 mt -63.96 -39.5 94.28 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.3 -46.38 87.02 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.288 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.34 65.18 0.03 OUTLIER Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.9 -1.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 71.7 t80 . . . . . 0 N--CA 1.495 1.804 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.16 -44.64 91.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.673 0.273 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -67.25 -35.17 78.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -65.22 -43.87 90.08 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.0 -42.4 95.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.688 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -61.45 -44.89 96.31 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.757 0.313 . . . . 0.0 111.001 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.51 -36.73 85.15 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.479 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.75 -34.25 89.44 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.9 mt -63.64 -43.8 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 CA-C-O 120.825 0.345 . . . . 0.0 110.272 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.88 -43.81 97.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -63.62 -41.8 98.25 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.619 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.42 -39.34 83.15 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.7 98.37 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.2 mtm180 -62.82 -42.22 99.63 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.685 0.279 . . . . 0.0 110.486 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' HD1' ' A' ' 19' ' ' PHE . 36.5 t -63.01 -42.5 99.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.117 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.56 -44.13 99.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.639 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' O ' ' OG1' ' A' ' 21' ' ' THR . . . -66.56 -35.95 90.71 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.488 -0.645 . . . . 0.0 111.488 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -46.03 88.56 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.548 0.213 . . . . 0.0 111.204 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.405 ' HD1' ' O ' ' A' ' 15' ' ' SER . 50.8 m-85 -68.41 -41.77 79.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.932 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -62.78 -40.54 97.62 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.527 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 17' ' ' GLY . 18.1 m -64.76 -48.47 74.41 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.961 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.57 -114.63 0.65 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.503 0 O-C-N 119.789 -2.007 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.68 -44.33 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-O 121.007 0.432 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -65.25 -36.67 84.83 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.311 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -66.71 -43.45 84.3 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.184 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.1 mt -64.09 -43.12 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.577 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -61.94 -46.9 87.3 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.96 0.409 . . . . 0.0 111.095 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -66.73 -36.87 83.49 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.867 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.4 -34.64 89.96 Favored Glycine 0 CA--C 1.532 1.153 0 N-CA-C 111.541 -0.624 . . . . 0.0 111.541 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.09 -44.24 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.884 0.373 . . . . 0.0 110.449 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -61.61 -45.11 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -65.72 -40.76 92.55 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.5 98.57 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.806 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.52 -38.53 95.96 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.3 -42.11 99.08 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.859 0.361 . . . . 0.0 110.248 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 79.4 p -63.08 -40.59 98.12 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.385 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.69 -44.36 96.57 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.454 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.72 -35.51 91.1 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -64.57 -44.86 89.38 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.781 -0.247 . . . . 0.0 111.115 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -68.22 -41.86 80.66 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.536 0.208 . . . . 0.0 110.917 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.4 tp -63.65 -40.19 96.24 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.5 m -63.66 -47.63 80.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.247 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 174.85 61.9 0.05 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.467 0 O-C-N 119.74 -2.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 93.4 m-85 . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 pt -67.48 -44.78 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.708 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -67.49 -36.88 81.97 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.785 0.326 . . . . 0.0 111.16 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.414 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 62.2 m80 -64.14 -45.3 89.1 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.41 -43.3 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.834 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -62.03 -44.62 96.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.895 0.379 . . . . 0.0 110.739 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -62.74 -40.18 96.41 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.447 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.81 -34.71 90.54 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.618 -0.593 . . . . 0.0 111.618 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.37 -43.61 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 120.829 0.347 . . . . 0.0 110.308 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.31 -44.28 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.893 179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -66.03 -41.72 90.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.966 0.412 . . . . 0.0 110.419 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.4 -45.74 89.63 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.13 -43.26 98.95 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -62.2 -43.06 99.68 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.049 0.452 . . . . 0.0 110.081 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.4 m -61.96 -42.65 99.36 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.112 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.7 -43.53 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.648 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' ' 21' ' ' THR . . . -64.92 -34.37 89.72 Favored Glycine 0 CA--C 1.531 1.042 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 18' ' ' ARG . 0.0 OUTLIER -64.6 -42.35 95.63 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -62.72 -35.94 81.35 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.577 0.227 . . . . 0.0 110.925 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.21 -36.77 84.74 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' GLY . 48.1 p -64.03 -48.45 76.29 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.665 0.269 . . . . 0.0 111.256 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.11 60.19 0.06 OUTLIER Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.535 0 O-C-N 119.743 -2.034 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.426 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 92.8 m-85 . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 pt -69.68 -42.97 80.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-O 120.574 0.226 . . . . 0.0 111.539 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -65.58 -34.35 78.04 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.819 0.342 . . . . 0.0 111.11 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.426 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 72.0 m80 -65.08 -38.02 89.4 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.954 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 85.7 mt -63.56 -43.07 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.783 179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -65.88 -39.5 90.71 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.66 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -63.87 -39.89 95.26 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.697 0.284 . . . . 0.0 111.398 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.9 -35.02 91.47 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.8 mt -64.29 -44.06 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 120.933 0.397 . . . . 0.0 110.214 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -61.9 -44.63 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -65.2 -42.89 93.11 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.706 0.289 . . . . 0.0 110.662 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.76 93.25 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.947 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.61 -39.4 97.83 Favored Glycine 0 N--CA 1.47 0.951 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -59.82 -42.55 93.74 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.923 0.392 . . . . 0.0 109.995 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.4 p -62.51 -40.64 97.39 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.461 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.43 -44.28 98.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.71 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.47 -36.06 92.09 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.548 -0.621 . . . . 0.0 111.548 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -66.24 -43.84 85.43 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.621 0.248 . . . . 0.0 110.905 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -68.53 -42.11 78.92 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.239 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -64.07 -40.83 97.12 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.766 0.317 . . . . 0.0 110.958 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 m -63.99 -48.61 75.75 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.374 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.73 149.3 6.18 Favored Glycine 0 CA--C 1.529 0.912 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.536 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.448 ' H2 ' ' CE1' ' A' ' 4' ' ' HIS . 97.1 m-85 . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 91.3 mt -66.13 -44.47 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-O 120.973 0.416 . . . . 0.0 110.844 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -66.74 -37.42 84.62 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.448 ' CE1' ' H2 ' ' A' ' 1' ' ' PHE . 71.9 m80 -62.47 -46.24 89.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.62 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mm -64.73 -43.37 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.823 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.05 -45.24 93.13 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.063 0.459 . . . . 0.0 110.804 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.97 -40.27 97.21 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.536 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.31 92.9 Favored Glycine 0 CA--C 1.531 1.052 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.3 mm -65.02 -44.46 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 120.938 0.399 . . . . 0.0 110.195 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.51 -44.86 99.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -65.42 -42.63 92.29 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.86 0.362 . . . . 0.0 110.503 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.76 97.93 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.74 96.8 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -61.1 -43.9 98.18 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.675 0.274 . . . . 0.0 110.491 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.4 t -63.25 -41.98 99.13 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.072 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.53 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.82 89.75 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -65.05 -44.05 90.32 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 120.808 0.337 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.95 -42.73 76.27 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 mt -64.78 -41.18 96.05 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.605 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 p -68.51 -50.11 54.61 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.471 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.78 115.03 0.44 Allowed Glycine 0 CA--C 1.526 0.78 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.455 0 O-C-N 119.757 -2.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_