data_2m8m_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m8m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.456 -0.307 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.656 -0.212 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 119.67 -0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 111.201 0.074 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.757 -0.64 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 119.63 28.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.225 1.41 . . . . 0.0 111.628 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.18 -28.74 69.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.144 0.977 . . . . 0.0 112.836 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.42 -44.26 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 112.159 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.84 -38.85 61.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.361 0.664 . . . . 0.0 111.375 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.7 -38.59 69.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.66 1.184 . . . . 0.0 112.465 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -54.01 -43.23 69.9 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.797 0.839 . . . . 0.0 112.716 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tt -79.93 -34.62 38.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.256 1.023 . . . . 0.0 112.325 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.14 -30.73 62.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.158 1.383 . . . . 0.0 112.868 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -59.27 -50.55 73.58 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.55 1.14 . . . . 0.0 111.06 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.05 60.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.732 1.213 . . . . 0.0 113.617 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -22.54 55.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -62.87 -35.3 79.54 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.383 -0.823 . . . . 0.0 111.95 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.79 -35.43 80.59 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.299 0.954 . . . . 0.0 111.27 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -60.5 -46.37 90.39 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.573 1.149 . . . . 0.0 111.724 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -41.38 70.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.84 . . . . 0.0 111.993 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -155.37 149.21 25.44 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.881 0.872 . . . . 0.0 112.404 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.53 -33.26 75.28 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.969 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -61.37 -33.43 73.63 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.335 -0.853 . . . . 0.0 112.204 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.2 -35.76 61.47 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.506 1.122 . . . . 0.0 111.328 174.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.02 68.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.092 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.51 -46.99 87.66 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.238 1.015 . . . . 0.0 111.305 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -30.18 60.81 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.136 0.974 . . . . 0.0 112.964 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.95 -44.63 78.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 112.113 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -63.86 -46.41 85.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.704 0.801 . . . . 0.0 111.453 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -32.88 73.4 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 113.378 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.86 -29.54 60.05 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.956 1.302 . . . . 0.0 113.424 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -62.11 -57.49 11.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.568 1.547 . . . . 0.0 111.815 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.01 -35.43 80.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.594 0.758 . . . . 0.0 112.169 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -59.14 -46.13 89.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.997 0.919 . . . . 0.0 111.647 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -44.57 84.82 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.118 0.567 . . . . 0.0 110.933 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.79 -44.42 77.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.785 1.234 . . . . 0.0 113.333 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.84 -27.34 67.47 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.29 -49.07 20.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 0.0 111.24 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.15 -6.17 37.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -33.23 62.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.317 1.447 . . . . 0.0 113.307 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.71 -33.7 74.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.418 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.33 -31.31 21.62 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.377 1.471 . . . . 0.0 111.397 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.72 -34.7 62.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.592 1.157 . . . . 0.0 112.458 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.81 -51.9 62.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 0.0 111.725 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -59.28 -44.92 92.43 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.003 1.321 . . . . 0.0 112.072 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.79 97.56 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.568 -0.707 . . . . 0.0 112.676 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 m -59.8 -57.01 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.748 1.219 . . . . 0.0 112.851 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.54 -39.04 89.63 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.512 0.596 . . . . 0.0 112.523 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -58.33 -47.39 83.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.653 1.181 . . . . 0.0 112.022 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.01 -37.81 86.86 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.211 0.605 . . . . 0.0 112.401 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -131.93 119.19 20.79 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.673 1.189 . . . . 0.0 111.521 -174.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -58.14 -30.41 66.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.43 -45.16 84.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.522 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.09 -37.76 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.666 0.786 . . . . 0.0 110.845 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.21 -35.56 75.68 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.004 0.922 . . . . 0.0 113.476 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -56.72 -42.96 80.1 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.228 0.922 . . . . 0.0 111.981 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.556 1.142 . . . . 0.0 112.538 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.4 -42.08 81.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.257 1.023 . . . . 0.0 111.796 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -63.22 -46.09 88.63 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.514 1.126 . . . . 0.0 111.174 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -62.51 -36.95 84.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.332 1.053 . . . . 0.0 112.672 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.96 71.18 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.519 -0.738 . . . . 0.0 112.986 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -62.17 -59.68 4.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.285 1.034 . . . . 0.0 111.968 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.69 -39.53 91.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.552 0.741 . . . . 0.0 112.412 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.46 -51.53 69.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.982 1.313 . . . . 0.0 112.427 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -59.88 -45.95 90.88 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.798 -0.564 . . . . 0.0 111.569 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -148.85 -54.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.177 0.991 . . . . 0.0 112.112 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -57.61 -28.92 64.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.368 1.467 . . . . 0.0 113.352 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -66.67 -40.35 88.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.661 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.59 -16.14 59.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.243 1.017 . . . . 0.0 112.764 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.3 -22.85 65.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.639 1.576 . . . . 0.0 113.662 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.74 -42.85 98.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.637 1.175 . . . . 0.0 111.587 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.54 -30.86 41.95 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.205 1.402 . . . . 0.0 112.619 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.56 -46.18 73.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.34 1.056 . . . . 0.0 111.886 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -51.1 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.638 1.175 . . . . 0.0 112.322 175.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -41.57 97.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.391 0.676 . . . . 0.0 112.433 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.04 84.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.008 0.923 . . . . 0.0 112.573 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -72.01 -31.83 66.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.976 0.91 . . . . 0.0 112.872 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -25.66 65.2 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.396 1.078 . . . . 0.0 112.879 176.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.72 -32.78 72.03 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.246 -0.909 . . . . 0.0 112.451 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -68.86 -46.02 69.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.947 0.794 . . . . 0.0 110.764 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.154 0.502 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.61 139.68 47.54 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.485 -1.385 . . . . 0.0 111.967 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -61.85 -26.5 68.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.49 -40.86 80.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.856 . . . . 0.0 111.877 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -5.81 51.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.385 1.474 . . . . 0.0 113.768 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -54.15 -32.65 55.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.881 1.272 . . . . 0.0 112.92 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.75 -32.9 67.92 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.166 0.987 . . . . 0.0 113.2 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -28.82 15.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.796 1.639 . . . . 0.0 112.365 175.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.7 -36.06 69.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.326 1.05 . . . . 0.0 112.655 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -58.32 -46.49 86.07 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 111.244 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -70.84 -32.74 69.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.104 1.362 . . . . 0.0 113.317 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.58 77.17 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.293 0.952 . . . . 0.0 112.394 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -59.88 -49.07 79.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.01 0.924 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.27 -42.32 95.16 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.818 1.247 . . . . 0.0 112.176 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -60.73 -47.04 88.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.303 1.041 . . . . 0.0 112.092 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -42.88 88.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.627 0.771 . . . . 0.0 111.687 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.53 108.59 6.47 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.865 1.211 . . . . 0.0 112.643 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.08 -27.93 66.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.799 0.839 . . . . 0.0 113.07 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.27 -29.71 64.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.278 1.031 . . . . 0.0 113.137 175.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tp -87.54 -13.66 42.36 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 112.851 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.63 -31.6 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.026 1.73 . . . . 0.0 113.094 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -57.16 -35.46 69.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.713 1.205 . . . . 0.0 113.197 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -23.23 18.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.066 1.347 . . . . 0.0 112.708 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.06 -31.87 72.33 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.936 . . . . 0.0 111.951 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -60.42 -38.39 83.93 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.054 1.342 . . . . 0.0 112.208 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.12 -26.17 68.7 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.244 1.018 . . . . 0.0 113.589 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.94 85.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.927 1.24 . . . . 0.0 112.646 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 -49.33 73.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.323 1.049 . . . . 0.0 110.499 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.37 -39.56 83.68 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.619 1.168 . . . . 0.0 112.324 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.3 t-105 -57.6 -44.18 85.22 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.713 1.205 . . . . 0.0 112.697 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.37 -51.74 66.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.434 0.694 . . . . 0.0 111.466 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.14 162.12 14.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.277 1.031 . . . . 0.0 113.217 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.86 -24.09 63.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.006 1.323 . . . . 0.0 113.486 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.32 -34.61 78.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.766 1.227 . . . . 0.0 112.11 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.44 -37.23 80.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.543 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -32.1 66.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.333 1.053 . . . . 0.0 113.12 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.97 -37.42 71.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -88.32 -37.44 15.97 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.811 1.244 . . . . 0.0 111.776 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.66 -33.81 72.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.577 1.151 . . . . 0.0 112.721 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -59.82 -45.86 91.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 111.955 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -62.87 -32.82 74.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.78 0.832 . . . . 0.0 112.634 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.88 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.389 -0.819 . . . . 0.0 112.003 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -63.55 -38.77 92.39 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 112.392 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.306 1.042 . . . . 0.0 111.916 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -63.98 -43.78 94.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.979 0.512 . . . . 0.0 111.359 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.68 -34.0 74.93 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.35 82.91 2.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.601 1.16 . . . . 0.0 111.397 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.7 -33.94 61.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.309 1.044 . . . . 0.0 112.106 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -65.02 -30.61 71.6 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.445 1.498 . . . . 0.0 114.221 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -27.47 19.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.493 1.117 . . . . 0.0 112.081 174.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -36.97 64.45 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 112.638 -177.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.44 -31.28 65.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.449 . . . . 0.0 113.393 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -92.48 -29.97 15.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.217 1.807 . . . . 0.0 112.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.33 -46.3 76.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.795 1.238 . . . . 0.0 112.752 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -43.97 96.17 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.759 -0.588 . . . . 0.0 111.382 175.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -41.8 95.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.51 1.124 . . . . 0.0 112.427 177.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.81 79.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.523 1.129 . . . . 0.0 113.21 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -57.74 -46.43 84.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.278 1.031 . . . . 0.0 111.737 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.33 -34.74 78.36 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.03 1.332 . . . . 0.0 113.186 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -45.27 93.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.664 0.786 . . . . 0.0 112.146 175.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -35.73 78.12 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.063 0.545 . . . . 0.0 112.158 176.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.07 -70.55 0.78 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.237 1.015 . . . . 0.0 109.994 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.94 -29.71 70.41 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.68 -38.4 90.88 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.276 1.03 . . . . 0.0 112.427 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.49 -46.43 79.76 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.948 0.899 . . . . 0.0 110.268 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.18 -35.85 82.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.933 0.893 . . . . 0.0 113.153 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -43.93 63.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.596 1.559 . . . . 0.0 112.132 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -30.96 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 113.091 174.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.59 -42.43 78.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.231 1.012 . . . . 0.0 112.525 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.66 -40.24 80.26 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.615 0.766 . . . . 0.0 111.72 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.34 68.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.577 1.151 . . . . 0.0 113.252 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.83 77.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.531 1.132 . . . . 0.0 113.096 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 m -59.81 -43.26 94.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.362 1.065 . . . . 0.0 111.953 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -69.65 -40.0 76.74 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.096 1.358 . . . . 0.0 112.032 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -61.79 -41.99 98.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.879 0.872 . . . . 0.0 112.494 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.3 -48.35 81.97 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.009 0.924 . . . . 0.0 110.724 174.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.84 -43.26 94.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.939 0.896 . . . . 0.0 113.222 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.9 -37.23 78.82 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.76 -24.69 61.8 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.533 -0.729 . . . . 0.0 112.818 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.69 -22.43 24.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 112.763 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -27.11 61.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.767 2.027 . . . . 0.0 112.991 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -33.58 70.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.519 1.128 . . . . 0.0 112.517 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -28.06 16.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.909 1.684 . . . . 0.0 111.649 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.54 -30.6 63.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.956 -1.09 . . . . 0.0 112.518 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.57 -46.53 86.72 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.244 1.017 . . . . 0.0 111.053 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -66.28 -36.9 84.16 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.976 0.91 . . . . 0.0 112.079 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.99 79.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.707 -0.621 . . . . 0.0 112.667 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -62.62 -41.72 99.16 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.426 -0.797 . . . . 0.0 112.254 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -42.47 79.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -57.94 -46.37 85.15 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.841 0.856 . . . . 0.0 111.847 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.28 -43.56 73.62 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.08 0.952 . . . . 0.0 111.84 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.3 15.79 5.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.722 1.209 . . . . 0.0 112.537 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -54.37 -33.4 59.09 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.922 2.089 . . . . 0.0 114.231 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.64 -51.19 17.59 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.464 0.705 . . . . 0.0 111.009 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -24.2 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 113.584 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.2 -27.34 21.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 112.312 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.38 -35.2 65.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.752 1.221 . . . . 0.0 112.875 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -30.93 15.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.719 1.608 . . . . 0.0 112.833 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.82 -28.22 63.87 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.823 1.249 . . . . 0.0 112.568 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -55.51 -44.39 76.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.222 1.409 . . . . 0.0 111.461 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -39.36 87.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.655 1.182 . . . . 0.0 112.517 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.59 74.27 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -56.47 -45.89 80.67 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.393 1.077 . . . . 0.0 111.989 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.59 -42.99 97.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.457 1.103 . . . . 0.0 112.271 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -57.65 -47.67 81.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.931 0.892 . . . . 0.0 112.09 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -63.82 -45.86 87.7 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.197 0.599 . . . . 0.0 112.495 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -133.35 142.71 48.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.495 1.518 . . . . 0.0 111.044 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -56.52 -27.08 56.53 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.973 1.309 . . . . 0.0 112.805 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.37 -36.3 73.29 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.744 1.618 . . . . 0.0 112.109 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -33.0 32.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.027 0.931 . . . . 0.0 112.767 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.15 -22.41 60.87 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.17 0.988 . . . . 0.0 113.101 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.63 -47.71 74.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.745 1.218 . . . . 0.0 110.985 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.4 tp -76.41 -30.36 57.43 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.123 1.369 . . . . 0.0 112.692 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.84 -27.99 60.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.174 0.99 . . . . 0.0 113.086 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -47.97 79.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.091 0.956 . . . . 0.0 111.271 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -64.71 -30.74 71.76 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.53 62.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.42 1.009 . . . . 0.0 112.719 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -58.16 -49.08 78.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.839 1.256 . . . . 0.0 111.848 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.19 -43.82 77.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.006 0.923 . . . . 0.0 112.449 175.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -52.68 -45.9 66.99 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.063 0.945 . . . . 0.0 112.295 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.23 -43.93 89.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.072 0.549 . . . . 0.0 110.895 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -120.08 -30.5 4.66 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -61.55 -28.67 69.5 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.387 -0.821 . . . . 0.0 112.592 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.02 1.328 . . . . 0.0 112.823 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -26.61 20.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.06 175.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -31.59 41.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.753 1.221 . . . . 0.0 113.47 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -53.92 -33.89 57.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.101 1.36 . . . . 0.0 113.533 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -28.59 16.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.01 1.724 . . . . 0.0 111.572 176.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -28.02 64.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.204 1.002 . . . . 0.0 112.879 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -47.26 75.83 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.23 0.923 . . . . 0.0 112.035 174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -67.31 -33.69 75.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.306 0.642 . . . . 0.0 112.19 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.55 65.56 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -58.96 -37.73 77.44 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.916 -1.115 . . . . 0.0 112.27 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.84 -37.01 82.87 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.608 0.763 . . . . 0.0 111.846 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -38.16 84.56 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.435 0.694 . . . . 0.0 111.836 174.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.57 -31.7 70.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.587 -0.721 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.29 73.11 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.833 1.653 . . . . 0.0 114.199 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.95 -27.85 69.68 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.764 1.626 . . . . 0.0 113.121 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -35.98 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.836 0.855 . . . . 0.0 111.501 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -48.65 66.54 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 123.122 0.569 . . . . 0.0 109.659 175.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -57.84 -41.24 81.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.645 1.178 . . . . 0.0 112.985 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.49 -42.66 74.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.054 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.88 -27.22 36.41 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.752 1.221 . . . . 0.0 113.883 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.31 -37.07 81.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.368 1.467 . . . . 0.0 112.183 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -63.78 -44.72 92.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.776 1.23 . . . . 0.0 110.23 175.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -66.82 -29.53 69.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.229 1.412 . . . . 0.0 113.492 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.44 63.71 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.599 1.09 . . . . 0.0 113.11 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -74.43 -42.24 59.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.522 0.729 . . . . 0.0 111.25 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.46 -32.68 73.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.695 1.198 . . . . 0.0 112.328 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -57.64 -39.33 76.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.008 0.923 . . . . 0.0 113.333 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.61 -48.53 71.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.174 0.59 . . . . 0.0 110.576 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -140.63 156.9 46.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.418 1.487 . . . . 0.0 110.762 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.78 -26.22 67.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -59.39 -34.97 73.09 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 0.0 112.967 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.75 -43.29 63.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.212 0.605 . . . . 0.0 110.973 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.1 -39.07 91.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.28 1.432 . . . . 0.0 113.316 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.65 -46.54 67.19 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.394 1.078 . . . . 0.0 111.943 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -27.97 40.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.835 0.854 . . . . 0.0 112.759 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -59.55 -45.32 92.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 0.0 112.402 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -59.6 -40.9 89.03 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.517 -0.74 . . . . 0.0 112.051 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -68.44 -33.23 73.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 113.203 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -28.67 69.31 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.93 -1.107 . . . . 0.0 113.386 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -64.16 -30.05 71.13 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.957 -1.089 . . . . 0.0 113.411 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.62 -40.39 94.67 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.044 0.838 . . . . 0.0 112.058 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -60.66 -36.63 79.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.391 0.676 . . . . 0.0 112.087 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -42.09 73.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.42 0.688 . . . . 0.0 111.857 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.92 151.8 50.35 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.75 1.159 . . . . 0.0 112.838 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.15 -34.97 72.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.537 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.68 -40.29 91.63 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.608 0.763 . . . . 0.0 112.464 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.5 86.3 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.007 0.523 . . . . 0.0 110.538 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.04 -37.07 81.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.276 1.03 . . . . 0.0 113.638 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -61.63 -43.14 99.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.355 0.98 . . . . 0.0 111.725 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.53 -27.83 58.86 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.56 -41.9 81.95 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.224 1.41 . . . . 0.0 112.405 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -63.11 -43.35 98.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.192 1.397 . . . . 0.0 112.084 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 -37.07 80.77 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.968 0.907 . . . . 0.0 112.715 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.85 -32.8 66.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.389 1.075 . . . . 0.0 112.926 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 m -58.53 -56.96 15.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.026 0.931 . . . . 0.0 111.689 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.89 -40.21 96.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.098 0.959 . . . . 0.0 112.657 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -61.1 -51.26 69.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.95 -35.71 78.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.607 0.763 . . . . 0.0 111.998 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.922 0.391 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.41 -62.39 1.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.191 1.396 . . . . 0.0 109.715 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.27 -34.09 66.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.59 1.556 . . . . 0.0 114.498 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.11 -35.14 73.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.478 -0.764 . . . . 0.0 112.843 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -77.27 -30.93 54.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.535 0.734 . . . . 0.0 111.262 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.11 -28.87 65.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.215 . . . . 0.0 113.254 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.7 -42.01 78.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.918 1.287 . . . . 0.0 111.739 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -36.63 31.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 0.0 111.308 175.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.78 -28.83 66.32 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.06 -46.74 72.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.904 1.282 . . . . 0.0 112.307 174.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -64.38 -40.03 95.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.118 0.967 . . . . 0.0 112.507 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.13 86.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.503 0.721 . . . . 0.0 112.162 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -64.88 -45.41 86.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.372 1.069 . . . . 0.0 111.457 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.39 -26.77 65.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.096 1.358 . . . . 0.0 113.247 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.93 -43.82 98.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.065 0.946 . . . . 0.0 112.272 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -38.17 74.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.901 0.881 . . . . 0.0 111.95 174.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.0 t30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.129 -0.463 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.16 95.83 0.14 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.714 1.143 . . . . 0.0 113.422 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.22 -28.42 64.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.542 1.137 . . . . 0.0 113.579 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -33.41 71.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.894 1.278 . . . . 0.0 112.317 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.67 -30.78 56.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.508 1.123 . . . . 0.0 111.149 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.16 -22.47 40.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.883 1.673 . . . . 0.0 113.663 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.66 -49.28 69.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.693 1.197 . . . . 0.0 110.757 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -76.2 -31.24 58.33 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.785 0.834 . . . . 0.0 112.109 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.02 -36.61 70.63 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.924 0.784 . . . . 0.0 111.992 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -55.18 36.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.135 0.974 . . . . 0.0 110.413 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.25 -33.65 71.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.802 1.241 . . . . 0.0 114.032 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.0 -33.62 67.32 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.049 0.841 . . . . 0.0 112.672 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -72.22 -40.76 67.56 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.515 -0.741 . . . . 0.0 112.49 175.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.0 -34.89 79.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.007 0.923 . . . . 0.0 112.755 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -55.71 -42.56 75.45 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.218 1.007 . . . . 0.0 112.885 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.25 -45.24 85.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.232 0.613 . . . . 0.0 111.657 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -158.37 161.18 37.55 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.108 -0.995 . . . . 0.0 112.97 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -61.53 -34.48 75.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.187 1.395 . . . . 0.0 112.86 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.3 -34.88 78.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.089 1.355 . . . . 0.0 112.359 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 tp -73.12 -37.4 66.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.753 0.821 . . . . 0.0 111.289 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.42 -31.59 64.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.128 1.371 . . . . 0.0 113.11 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.91 -45.82 85.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.188 1.395 . . . . 0.0 112.19 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -29.19 32.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.176 0.991 . . . . 0.0 112.716 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.0 -40.31 73.18 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.047 1.339 . . . . 0.0 112.554 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -50.49 70.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.849 1.259 . . . . 0.0 111.669 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.03 -44.61 88.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.335 1.054 . . . . 0.0 112.895 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.87 89.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.563 0.745 . . . . 0.0 112.133 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 m -58.51 -49.82 75.98 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.72 1.208 . . . . 0.0 111.291 175.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.38 -45.95 90.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.721 0.808 . . . . 0.0 112.464 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -62.05 -42.92 99.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.398 0.679 . . . . 0.0 112.576 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -68.11 -45.97 72.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.582 0.753 . . . . 0.0 111.201 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.456 -0.307 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.656 -0.212 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.45 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.465 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.465 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 119.67 -0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.505 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 111.201 0.074 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.401 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.757 -0.64 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 119.63 28.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.225 1.41 . . . . 0.0 111.628 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.18 -28.74 69.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.144 0.977 . . . . 0.0 112.836 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.42 -44.26 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 112.159 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.84 -38.85 61.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.361 0.664 . . . . 0.0 111.375 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.7 -38.59 69.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.66 1.184 . . . . 0.0 112.465 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -54.01 -43.23 69.9 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.797 0.839 . . . . 0.0 112.716 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tt -79.93 -34.62 38.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.256 1.023 . . . . 0.0 112.325 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.14 -30.73 62.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.158 1.383 . . . . 0.0 112.868 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -59.27 -50.55 73.58 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.55 1.14 . . . . 0.0 111.06 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.05 60.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.732 1.213 . . . . 0.0 113.617 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -22.54 55.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -62.87 -35.3 79.54 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.383 -0.823 . . . . 0.0 111.95 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.79 -35.43 80.59 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.299 0.954 . . . . 0.0 111.27 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -60.5 -46.37 90.39 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.573 1.149 . . . . 0.0 111.724 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -41.38 70.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.84 . . . . 0.0 111.993 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -155.37 149.21 25.44 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.881 0.872 . . . . 0.0 112.404 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.53 -33.26 75.28 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.969 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -61.37 -33.43 73.63 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.335 -0.853 . . . . 0.0 112.204 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.2 -35.76 61.47 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.506 1.122 . . . . 0.0 111.328 174.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.02 68.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.092 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.51 -46.99 87.66 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.238 1.015 . . . . 0.0 111.305 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -30.18 60.81 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.136 0.974 . . . . 0.0 112.964 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.95 -44.63 78.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 112.113 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -63.86 -46.41 85.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.704 0.801 . . . . 0.0 111.453 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -32.88 73.4 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 113.378 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.86 -29.54 60.05 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.956 1.302 . . . . 0.0 113.424 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -62.11 -57.49 11.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.568 1.547 . . . . 0.0 111.815 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.01 -35.43 80.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.594 0.758 . . . . 0.0 112.169 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -59.14 -46.13 89.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.997 0.919 . . . . 0.0 111.647 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -44.57 84.82 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.118 0.567 . . . . 0.0 110.933 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.79 -44.42 77.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.785 1.234 . . . . 0.0 113.333 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.84 -27.34 67.47 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.29 -49.07 20.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 0.0 111.24 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.15 -6.17 37.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -33.23 62.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.317 1.447 . . . . 0.0 113.307 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.71 -33.7 74.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.418 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.33 -31.31 21.62 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.377 1.471 . . . . 0.0 111.397 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.72 -34.7 62.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.592 1.157 . . . . 0.0 112.458 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.81 -51.9 62.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 0.0 111.725 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -59.28 -44.92 92.43 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.003 1.321 . . . . 0.0 112.072 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.79 97.56 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.568 -0.707 . . . . 0.0 112.676 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 m -59.8 -57.01 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.748 1.219 . . . . 0.0 112.851 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.54 -39.04 89.63 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.512 0.596 . . . . 0.0 112.523 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -58.33 -47.39 83.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.653 1.181 . . . . 0.0 112.022 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.01 -37.81 86.86 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.211 0.605 . . . . 0.0 112.401 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -131.93 119.19 20.79 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.673 1.189 . . . . 0.0 111.521 -174.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -58.14 -30.41 66.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.43 -45.16 84.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.522 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.09 -37.76 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.666 0.786 . . . . 0.0 110.845 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.21 -35.56 75.68 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.004 0.922 . . . . 0.0 113.476 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -56.72 -42.96 80.1 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.228 0.922 . . . . 0.0 111.981 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.556 1.142 . . . . 0.0 112.538 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.4 -42.08 81.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.257 1.023 . . . . 0.0 111.796 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -63.22 -46.09 88.63 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.514 1.126 . . . . 0.0 111.174 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -62.51 -36.95 84.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.332 1.053 . . . . 0.0 112.672 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.96 71.18 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.519 -0.738 . . . . 0.0 112.986 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -62.17 -59.68 4.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.285 1.034 . . . . 0.0 111.968 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.69 -39.53 91.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.552 0.741 . . . . 0.0 112.412 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.46 -51.53 69.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.982 1.313 . . . . 0.0 112.427 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -59.88 -45.95 90.88 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.798 -0.564 . . . . 0.0 111.569 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -148.85 -54.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.177 0.991 . . . . 0.0 112.112 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -57.61 -28.92 64.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.368 1.467 . . . . 0.0 113.352 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -66.67 -40.35 88.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.661 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.59 -16.14 59.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.243 1.017 . . . . 0.0 112.764 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.3 -22.85 65.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.639 1.576 . . . . 0.0 113.662 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.74 -42.85 98.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.637 1.175 . . . . 0.0 111.587 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.54 -30.86 41.95 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.205 1.402 . . . . 0.0 112.619 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.56 -46.18 73.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.34 1.056 . . . . 0.0 111.886 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -56.24 -51.1 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.638 1.175 . . . . 0.0 112.322 175.015 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -41.57 97.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.391 0.676 . . . . 0.0 112.433 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.04 84.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.008 0.923 . . . . 0.0 112.573 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -72.01 -31.83 66.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.976 0.91 . . . . 0.0 112.872 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -25.66 65.2 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.396 1.078 . . . . 0.0 112.879 176.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.72 -32.78 72.03 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.246 -0.909 . . . . 0.0 112.451 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -68.86 -46.02 69.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.947 0.794 . . . . 0.0 110.764 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.154 0.502 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.61 139.68 47.54 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.485 -1.385 . . . . 0.0 111.967 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -61.85 -26.5 68.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.49 -40.86 80.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.856 . . . . 0.0 111.877 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -5.81 51.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.385 1.474 . . . . 0.0 113.768 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -54.15 -32.65 55.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.881 1.272 . . . . 0.0 112.92 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.75 -32.9 67.92 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.166 0.987 . . . . 0.0 113.2 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -28.82 15.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.796 1.639 . . . . 0.0 112.365 175.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.7 -36.06 69.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.326 1.05 . . . . 0.0 112.655 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -58.32 -46.49 86.07 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 111.244 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -70.84 -32.74 69.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.104 1.362 . . . . 0.0 113.317 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.58 77.17 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.293 0.952 . . . . 0.0 112.394 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -59.88 -49.07 79.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.01 0.924 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.27 -42.32 95.16 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.818 1.247 . . . . 0.0 112.176 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -60.73 -47.04 88.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.303 1.041 . . . . 0.0 112.092 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -42.88 88.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.627 0.771 . . . . 0.0 111.687 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.45 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.53 108.59 6.47 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.865 1.211 . . . . 0.0 112.643 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.08 -27.93 66.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.799 0.839 . . . . 0.0 113.07 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.27 -29.71 64.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.278 1.031 . . . . 0.0 113.137 175.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tp -87.54 -13.66 42.36 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 112.851 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.63 -31.6 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.026 1.73 . . . . 0.0 113.094 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -57.16 -35.46 69.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.713 1.205 . . . . 0.0 113.197 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -23.23 18.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.066 1.347 . . . . 0.0 112.708 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.06 -31.87 72.33 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.936 . . . . 0.0 111.951 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -60.42 -38.39 83.93 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.054 1.342 . . . . 0.0 112.208 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.12 -26.17 68.7 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.244 1.018 . . . . 0.0 113.589 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.94 85.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.927 1.24 . . . . 0.0 112.646 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 -49.33 73.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.323 1.049 . . . . 0.0 110.499 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.37 -39.56 83.68 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.619 1.168 . . . . 0.0 112.324 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.3 t-105 -57.6 -44.18 85.22 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.713 1.205 . . . . 0.0 112.697 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.37 -51.74 66.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.434 0.694 . . . . 0.0 111.466 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.14 162.12 14.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.277 1.031 . . . . 0.0 113.217 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.86 -24.09 63.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.006 1.323 . . . . 0.0 113.486 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.32 -34.61 78.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.766 1.227 . . . . 0.0 112.11 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.44 -37.23 80.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.543 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -32.1 66.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.333 1.053 . . . . 0.0 113.12 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.97 -37.42 71.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -88.32 -37.44 15.97 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.811 1.244 . . . . 0.0 111.776 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.66 -33.81 72.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.577 1.151 . . . . 0.0 112.721 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -59.82 -45.86 91.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 111.955 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -62.87 -32.82 74.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.78 0.832 . . . . 0.0 112.634 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.88 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.389 -0.819 . . . . 0.0 112.003 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -63.55 -38.77 92.39 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 112.392 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.306 1.042 . . . . 0.0 111.916 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -63.98 -43.78 94.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.979 0.512 . . . . 0.0 111.359 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.68 -34.0 74.93 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.35 82.91 2.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.601 1.16 . . . . 0.0 111.397 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.7 -33.94 61.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.309 1.044 . . . . 0.0 112.106 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -65.02 -30.61 71.6 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.445 1.498 . . . . 0.0 114.221 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -27.47 19.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.493 1.117 . . . . 0.0 112.081 174.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -36.97 64.45 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 112.638 -177.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.44 -31.28 65.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.449 . . . . 0.0 113.393 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -92.48 -29.97 15.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.217 1.807 . . . . 0.0 112.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.33 -46.3 76.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.795 1.238 . . . . 0.0 112.752 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -43.97 96.17 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.759 -0.588 . . . . 0.0 111.382 175.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -41.8 95.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.51 1.124 . . . . 0.0 112.427 177.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.81 79.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.523 1.129 . . . . 0.0 113.21 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -57.74 -46.43 84.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.278 1.031 . . . . 0.0 111.737 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.33 -34.74 78.36 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.03 1.332 . . . . 0.0 113.186 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -45.27 93.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.664 0.786 . . . . 0.0 112.146 175.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -35.73 78.12 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.063 0.545 . . . . 0.0 112.158 176.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.07 -70.55 0.78 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.237 1.015 . . . . 0.0 109.994 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.94 -29.71 70.41 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.68 -38.4 90.88 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.276 1.03 . . . . 0.0 112.427 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.49 -46.43 79.76 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.948 0.899 . . . . 0.0 110.268 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.18 -35.85 82.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.933 0.893 . . . . 0.0 113.153 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -43.93 63.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.596 1.559 . . . . 0.0 112.132 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -30.96 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 113.091 174.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.59 -42.43 78.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.231 1.012 . . . . 0.0 112.525 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.66 -40.24 80.26 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.615 0.766 . . . . 0.0 111.72 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.34 68.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.577 1.151 . . . . 0.0 113.252 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.83 77.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.531 1.132 . . . . 0.0 113.096 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 m -59.81 -43.26 94.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.362 1.065 . . . . 0.0 111.953 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -69.65 -40.0 76.74 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.096 1.358 . . . . 0.0 112.032 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -61.79 -41.99 98.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.879 0.872 . . . . 0.0 112.494 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.3 -48.35 81.97 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.009 0.924 . . . . 0.0 110.724 174.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.84 -43.26 94.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.939 0.896 . . . . 0.0 113.222 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.9 -37.23 78.82 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.76 -24.69 61.8 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.533 -0.729 . . . . 0.0 112.818 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.69 -22.43 24.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 112.763 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -27.11 61.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.767 2.027 . . . . 0.0 112.991 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -33.58 70.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.519 1.128 . . . . 0.0 112.517 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -28.06 16.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.909 1.684 . . . . 0.0 111.649 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.54 -30.6 63.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.956 -1.09 . . . . 0.0 112.518 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.57 -46.53 86.72 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.244 1.017 . . . . 0.0 111.053 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -66.28 -36.9 84.16 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.976 0.91 . . . . 0.0 112.079 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.99 79.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.707 -0.621 . . . . 0.0 112.667 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -62.62 -41.72 99.16 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.426 -0.797 . . . . 0.0 112.254 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -42.47 79.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -57.94 -46.37 85.15 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.841 0.856 . . . . 0.0 111.847 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.28 -43.56 73.62 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.08 0.952 . . . . 0.0 111.84 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.465 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.465 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.3 15.79 5.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.722 1.209 . . . . 0.0 112.537 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -54.37 -33.4 59.09 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.922 2.089 . . . . 0.0 114.231 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.64 -51.19 17.59 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.464 0.705 . . . . 0.0 111.009 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -24.2 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 113.584 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.2 -27.34 21.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 112.312 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.38 -35.2 65.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.752 1.221 . . . . 0.0 112.875 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -30.93 15.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.719 1.608 . . . . 0.0 112.833 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.82 -28.22 63.87 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.823 1.249 . . . . 0.0 112.568 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -55.51 -44.39 76.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.222 1.409 . . . . 0.0 111.461 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -39.36 87.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.655 1.182 . . . . 0.0 112.517 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.59 74.27 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -56.47 -45.89 80.67 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.393 1.077 . . . . 0.0 111.989 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.59 -42.99 97.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.457 1.103 . . . . 0.0 112.271 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -57.65 -47.67 81.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.931 0.892 . . . . 0.0 112.09 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -63.82 -45.86 87.7 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.197 0.599 . . . . 0.0 112.495 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -133.35 142.71 48.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.495 1.518 . . . . 0.0 111.044 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -56.52 -27.08 56.53 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.973 1.309 . . . . 0.0 112.805 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.37 -36.3 73.29 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.744 1.618 . . . . 0.0 112.109 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -33.0 32.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.027 0.931 . . . . 0.0 112.767 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.15 -22.41 60.87 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.17 0.988 . . . . 0.0 113.101 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.63 -47.71 74.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.745 1.218 . . . . 0.0 110.985 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.4 tp -76.41 -30.36 57.43 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.123 1.369 . . . . 0.0 112.692 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.84 -27.99 60.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.174 0.99 . . . . 0.0 113.086 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -47.97 79.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.091 0.956 . . . . 0.0 111.271 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -64.71 -30.74 71.76 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.53 62.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.42 1.009 . . . . 0.0 112.719 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -58.16 -49.08 78.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.839 1.256 . . . . 0.0 111.848 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.19 -43.82 77.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.006 0.923 . . . . 0.0 112.449 175.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -52.68 -45.9 66.99 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.063 0.945 . . . . 0.0 112.295 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.23 -43.93 89.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.072 0.549 . . . . 0.0 110.895 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -120.08 -30.5 4.66 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -61.55 -28.67 69.5 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.387 -0.821 . . . . 0.0 112.592 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.02 1.328 . . . . 0.0 112.823 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -26.61 20.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.06 175.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -31.59 41.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.753 1.221 . . . . 0.0 113.47 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -53.92 -33.89 57.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.101 1.36 . . . . 0.0 113.533 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -28.59 16.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.01 1.724 . . . . 0.0 111.572 176.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -28.02 64.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.204 1.002 . . . . 0.0 112.879 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -47.26 75.83 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.23 0.923 . . . . 0.0 112.035 174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -67.31 -33.69 75.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.306 0.642 . . . . 0.0 112.19 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.55 65.56 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -58.96 -37.73 77.44 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.916 -1.115 . . . . 0.0 112.27 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.84 -37.01 82.87 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.608 0.763 . . . . 0.0 111.846 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -38.16 84.56 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.435 0.694 . . . . 0.0 111.836 174.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.57 -31.7 70.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.587 -0.721 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.29 73.11 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.833 1.653 . . . . 0.0 114.199 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.95 -27.85 69.68 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.764 1.626 . . . . 0.0 113.121 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -35.98 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.836 0.855 . . . . 0.0 111.501 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -48.65 66.54 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 123.122 0.569 . . . . 0.0 109.659 175.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -57.84 -41.24 81.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.645 1.178 . . . . 0.0 112.985 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.49 -42.66 74.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.054 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.88 -27.22 36.41 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.752 1.221 . . . . 0.0 113.883 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.31 -37.07 81.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.368 1.467 . . . . 0.0 112.183 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -63.78 -44.72 92.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.776 1.23 . . . . 0.0 110.23 175.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -66.82 -29.53 69.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.229 1.412 . . . . 0.0 113.492 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.44 63.71 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.599 1.09 . . . . 0.0 113.11 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -74.43 -42.24 59.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.522 0.729 . . . . 0.0 111.25 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.46 -32.68 73.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.695 1.198 . . . . 0.0 112.328 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -57.64 -39.33 76.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.008 0.923 . . . . 0.0 113.333 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.61 -48.53 71.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.174 0.59 . . . . 0.0 110.576 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -140.63 156.9 46.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.418 1.487 . . . . 0.0 110.762 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.78 -26.22 67.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -59.39 -34.97 73.09 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 0.0 112.967 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.75 -43.29 63.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.212 0.605 . . . . 0.0 110.973 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.1 -39.07 91.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.28 1.432 . . . . 0.0 113.316 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.65 -46.54 67.19 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.394 1.078 . . . . 0.0 111.943 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -27.97 40.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.835 0.854 . . . . 0.0 112.759 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -59.55 -45.32 92.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 0.0 112.402 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -59.6 -40.9 89.03 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.517 -0.74 . . . . 0.0 112.051 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -68.44 -33.23 73.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 113.203 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -28.67 69.31 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.93 -1.107 . . . . 0.0 113.386 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -64.16 -30.05 71.13 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.957 -1.089 . . . . 0.0 113.411 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.62 -40.39 94.67 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.044 0.838 . . . . 0.0 112.058 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -60.66 -36.63 79.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.391 0.676 . . . . 0.0 112.087 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -42.09 73.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.42 0.688 . . . . 0.0 111.857 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.92 151.8 50.35 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.75 1.159 . . . . 0.0 112.838 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.15 -34.97 72.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.537 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.68 -40.29 91.63 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.608 0.763 . . . . 0.0 112.464 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.5 86.3 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.007 0.523 . . . . 0.0 110.538 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.04 -37.07 81.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.276 1.03 . . . . 0.0 113.638 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -61.63 -43.14 99.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.355 0.98 . . . . 0.0 111.725 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.53 -27.83 58.86 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.56 -41.9 81.95 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.224 1.41 . . . . 0.0 112.405 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -63.11 -43.35 98.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.192 1.397 . . . . 0.0 112.084 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 -37.07 80.77 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.968 0.907 . . . . 0.0 112.715 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.85 -32.8 66.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.389 1.075 . . . . 0.0 112.926 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 m -58.53 -56.96 15.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.026 0.931 . . . . 0.0 111.689 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.89 -40.21 96.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.098 0.959 . . . . 0.0 112.657 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -61.1 -51.26 69.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.95 -35.71 78.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.607 0.763 . . . . 0.0 111.998 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.922 0.391 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.41 -62.39 1.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.191 1.396 . . . . 0.0 109.715 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.27 -34.09 66.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.59 1.556 . . . . 0.0 114.498 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.11 -35.14 73.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.478 -0.764 . . . . 0.0 112.843 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -77.27 -30.93 54.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.535 0.734 . . . . 0.0 111.262 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.11 -28.87 65.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.215 . . . . 0.0 113.254 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.7 -42.01 78.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.918 1.287 . . . . 0.0 111.739 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -36.63 31.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 0.0 111.308 175.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.78 -28.83 66.32 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.06 -46.74 72.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.904 1.282 . . . . 0.0 112.307 174.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -64.38 -40.03 95.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.118 0.967 . . . . 0.0 112.507 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.13 86.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.503 0.721 . . . . 0.0 112.162 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -64.88 -45.41 86.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.372 1.069 . . . . 0.0 111.457 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.39 -26.77 65.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.096 1.358 . . . . 0.0 113.247 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.93 -43.82 98.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.065 0.946 . . . . 0.0 112.272 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -38.17 74.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.901 0.881 . . . . 0.0 111.95 174.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.505 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.0 t30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.129 -0.463 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.16 95.83 0.14 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.714 1.143 . . . . 0.0 113.422 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.22 -28.42 64.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.542 1.137 . . . . 0.0 113.579 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -33.41 71.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.894 1.278 . . . . 0.0 112.317 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.67 -30.78 56.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.508 1.123 . . . . 0.0 111.149 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.16 -22.47 40.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.883 1.673 . . . . 0.0 113.663 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.66 -49.28 69.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.693 1.197 . . . . 0.0 110.757 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -76.2 -31.24 58.33 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.785 0.834 . . . . 0.0 112.109 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.02 -36.61 70.63 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.924 0.784 . . . . 0.0 111.992 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -55.18 36.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.135 0.974 . . . . 0.0 110.413 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.25 -33.65 71.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.802 1.241 . . . . 0.0 114.032 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.0 -33.62 67.32 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.049 0.841 . . . . 0.0 112.672 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -72.22 -40.76 67.56 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.515 -0.741 . . . . 0.0 112.49 175.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.0 -34.89 79.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.007 0.923 . . . . 0.0 112.755 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -55.71 -42.56 75.45 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.218 1.007 . . . . 0.0 112.885 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.25 -45.24 85.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.232 0.613 . . . . 0.0 111.657 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -158.37 161.18 37.55 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.108 -0.995 . . . . 0.0 112.97 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -61.53 -34.48 75.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.187 1.395 . . . . 0.0 112.86 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.3 -34.88 78.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.089 1.355 . . . . 0.0 112.359 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 tp -73.12 -37.4 66.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.753 0.821 . . . . 0.0 111.289 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.42 -31.59 64.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.128 1.371 . . . . 0.0 113.11 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.91 -45.82 85.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.188 1.395 . . . . 0.0 112.19 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -29.19 32.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.176 0.991 . . . . 0.0 112.716 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.0 -40.31 73.18 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.047 1.339 . . . . 0.0 112.554 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -50.49 70.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.849 1.259 . . . . 0.0 111.669 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.03 -44.61 88.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.335 1.054 . . . . 0.0 112.895 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.87 89.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.563 0.745 . . . . 0.0 112.133 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 m -58.51 -49.82 75.98 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.72 1.208 . . . . 0.0 111.291 175.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.38 -45.95 90.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.721 0.808 . . . . 0.0 112.464 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -62.05 -42.92 99.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.398 0.679 . . . . 0.0 112.576 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -68.11 -45.97 72.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.582 0.753 . . . . 0.0 111.201 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.401 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 119.456 -0.307 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 119.656 -0.212 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.45 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.466 0.173 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 . . . . . 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.465 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.465 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 119.67 -0.205 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.505 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 111.201 0.074 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.401 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 12.7 p30 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.757 -0.64 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.04 119.63 28.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.225 1.41 . . . . 0.0 111.628 -179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -61.18 -28.74 69.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.144 0.977 . . . . 0.0 112.836 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.42 -44.26 95.92 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.128 0.971 . . . . 0.0 112.159 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.3 mp -74.84 -38.85 61.89 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.361 0.664 . . . . 0.0 111.375 175.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.7 -38.59 69.9 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.66 1.184 . . . . 0.0 112.465 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -54.01 -43.23 69.9 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.797 0.839 . . . . 0.0 112.716 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.7 tt -79.93 -34.62 38.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.256 1.023 . . . . 0.0 112.325 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -56.14 -30.73 62.55 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.158 1.383 . . . . 0.0 112.868 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -59.27 -50.55 73.58 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.55 1.14 . . . . 0.0 111.06 174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.61 -25.05 60.14 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.732 1.213 . . . . 0.0 113.617 175.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.54 -22.54 55.82 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.0 m -62.87 -35.3 79.54 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.383 -0.823 . . . . 0.0 111.95 174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.79 -35.43 80.59 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.299 0.954 . . . . 0.0 111.27 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -60.5 -46.37 90.39 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.573 1.149 . . . . 0.0 111.724 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.19 -41.38 70.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.84 . . . . 0.0 111.993 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -57.74 -47.14 83.3 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.652 0.781 . . . . 0.0 112.486 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -53.79 -36.39 62.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.505 1.122 . . . . 0.0 113.069 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -58.93 -47.76 83.91 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.452 1.101 . . . . 0.0 111.495 175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.6 mm -60.18 -46.22 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.746 1.218 . . . . 0.0 111.807 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -46.69 88.36 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 118.905 0.775 . . . . 0.0 112.099 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -38.72 89.07 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.609 0.764 . . . . 0.0 112.71 177.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 32.4 t90 -62.02 -49.5 75.77 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.539 1.136 . . . . 0.0 112.089 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.69 -36.79 65.04 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.69 0.796 . . . . 0.0 112.327 174.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -32.77 72.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.733 1.213 . . . . 0.0 113.62 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.69 -37.91 70.63 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.158 -0.964 . . . . 0.0 111.836 174.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 26.2 mt -71.8 -51.36 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.065 0.946 . . . . 0.0 111.28 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 125.471 1.508 . . . . 0.0 114.388 -178.48 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -155.37 149.21 25.44 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.881 0.872 . . . . 0.0 112.404 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -66.53 -33.26 75.28 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.064 0.946 . . . . 0.0 112.969 178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -61.37 -33.43 73.63 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.335 -0.853 . . . . 0.0 112.204 176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.2 -35.76 61.47 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.506 1.122 . . . . 0.0 111.328 174.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -32.02 68.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.688 1.595 . . . . 0.0 113.092 -179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -61.51 -46.99 87.66 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.238 1.015 . . . . 0.0 111.305 174.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.1 -30.18 60.81 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.136 0.974 . . . . 0.0 112.964 175.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -55.95 -44.63 78.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.716 1.206 . . . . 0.0 112.113 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -63.86 -46.41 85.11 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.704 0.801 . . . . 0.0 111.453 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -32.88 73.4 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 113.378 177.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.86 -29.54 60.05 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.956 1.302 . . . . 0.0 113.424 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 t -62.11 -57.49 11.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.568 1.547 . . . . 0.0 111.815 174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mp -66.01 -35.43 80.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.594 0.758 . . . . 0.0 112.169 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -59.14 -46.13 89.17 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.997 0.919 . . . . 0.0 111.647 177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.91 -44.57 84.82 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.118 0.567 . . . . 0.0 110.933 174.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -54.85 -36.74 65.39 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.05 -31.78 63.46 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.078 0.951 . . . . 0.0 113.43 174.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -76.76 -38.9 53.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.635 0.774 . . . . 0.0 111.039 174.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.0 mm -57.11 -39.93 69.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.849 1.26 . . . . 0.0 111.867 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -40.13 71.5 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.956 0.902 . . . . 0.0 112.854 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.23 -39.69 22.7 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.196 0.998 . . . . 0.0 112.381 175.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -61.09 -29.4 69.73 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.132 0.973 . . . . 0.0 113.089 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -49.97 -42.07 48.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.472 1.509 . . . . 0.0 112.507 175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -32.43 72.95 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.943 1.297 . . . . 0.0 113.299 175.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -72.73 -38.79 67.31 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.779 1.232 . . . . 0.0 112.404 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.7 mm -67.2 -47.88 80.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.925 0 C-N-CA 124.669 1.188 . . . . 0.0 111.851 176.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.658 1.583 . . . . 0.0 112.457 179.528 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 110.749 -0.093 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.79 -44.42 77.76 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.785 1.234 . . . . 0.0 113.333 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -66.84 -27.34 67.47 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -75.29 -49.07 20.36 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.766 1.226 . . . . 0.0 111.24 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -71.15 -6.17 37.38 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.2 -33.23 62.87 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.317 1.447 . . . . 0.0 113.307 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -61.71 -33.7 74.48 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.711 1.204 . . . . 0.0 113.418 174.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.33 -31.31 21.62 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.377 1.471 . . . . 0.0 111.397 175.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -54.72 -34.7 62.77 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.592 1.157 . . . . 0.0 112.458 176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -63.81 -51.9 62.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.093 0.957 . . . . 0.0 111.725 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.7 m0 -59.28 -44.92 92.43 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.003 1.321 . . . . 0.0 112.072 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.76 -40.79 97.56 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.568 -0.707 . . . . 0.0 112.676 175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.7 m -59.8 -57.01 14.74 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.748 1.219 . . . . 0.0 112.851 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.54 -39.04 89.63 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 118.512 0.596 . . . . 0.0 112.523 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -58.33 -47.39 83.9 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.653 1.181 . . . . 0.0 112.022 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.01 -37.81 86.86 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.211 0.605 . . . . 0.0 112.401 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -60.56 -42.74 97.21 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.558 -0.714 . . . . 0.0 112.251 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.45 -38.07 58.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.615 1.166 . . . . 0.0 113.098 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -61.66 -46.62 88.94 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.396 0.678 . . . . 0.0 111.451 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.1 mm -60.51 -42.6 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.136 0.974 . . . . 0.0 111.418 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -38.94 75.86 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.39 0.676 . . . . 0.0 111.975 178.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -77.08 -40.73 45.02 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.774 0.829 . . . . 0.0 111.95 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.452 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 10.2 t90 -61.51 -27.94 68.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.598 1.159 . . . . 0.0 113.336 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.44 -46.7 63.1 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.535 174.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -62.1 -28.96 69.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.49 1.116 . . . . 0.0 113.436 174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.84 -39.19 66.77 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.5 0.72 . . . . 0.0 112.311 174.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.452 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 44.8 mm -72.9 -51.47 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.156 0.982 . . . . 0.0 112.301 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? . . . . . 0 C--O 1.252 1.223 0 C-N-CA 124.479 1.112 . . . . 0.0 112.0 -176.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 N--CA 1.486 1.34 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -131.93 119.19 20.79 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.673 1.189 . . . . 0.0 111.521 -174.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -58.14 -30.41 66.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.43 -45.16 84.98 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.952 0.901 . . . . 0.0 112.522 176.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.09 -37.76 57.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.666 0.786 . . . . 0.0 110.845 176.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.4 tp -60.21 -35.56 75.68 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.004 0.922 . . . . 0.0 113.476 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -56.72 -42.96 80.1 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.228 0.922 . . . . 0.0 111.981 174.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.4 mt -76.15 -32.14 58.94 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.556 1.142 . . . . 0.0 112.538 176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.4 -42.08 81.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.257 1.023 . . . . 0.0 111.796 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -63.22 -46.09 88.63 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.514 1.126 . . . . 0.0 111.174 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -62.51 -36.95 84.18 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.332 1.053 . . . . 0.0 112.672 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.33 -29.96 71.18 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.519 -0.738 . . . . 0.0 112.986 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -62.17 -59.68 4.7 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.285 1.034 . . . . 0.0 111.968 178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.69 -39.53 91.78 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.552 0.741 . . . . 0.0 112.412 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -58.46 -51.53 69.47 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.982 1.313 . . . . 0.0 112.427 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -59.88 -45.95 90.88 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.798 -0.564 . . . . 0.0 111.569 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 91.6 t90 -56.17 -44.75 79.66 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.644 0.656 . . . . 0.0 112.707 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -31.13 68.46 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.095 0.958 . . . . 0.0 112.801 175.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.11 -46.91 66.5 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.555 -0.715 . . . . 0.0 110.416 174.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.1 mm -60.02 -46.45 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.713 1.205 . . . . 0.0 112.661 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 p -59.28 -36.7 76.03 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.604 1.093 . . . . 0.0 112.756 176.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -34.58 60.67 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 118.9 0.773 . . . . 0.0 111.997 174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -68.6 -26.65 65.48 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.359 1.063 . . . . 0.0 113.376 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.2 -41.08 35.84 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.624 1.17 . . . . 0.0 112.188 175.002 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -60.47 -34.55 74.18 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.925 1.69 . . . . 0.0 113.156 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.9 -41.82 64.21 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.88 1.272 . . . . 0.0 112.299 175.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.4 mm -69.12 -51.34 44.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.582 1.153 . . . . 0.0 111.891 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.253 1.268 0 C-N-CA 125.96 1.704 . . . . 0.0 113.36 179.746 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 N--CA 1.484 1.256 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -148.85 -54.58 0.18 Allowed 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.177 0.991 . . . . 0.0 112.112 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -57.61 -28.92 64.09 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.368 1.467 . . . . 0.0 113.352 178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -66.67 -40.35 88.54 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.139 0.976 . . . . 0.0 112.661 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tp -76.59 -16.14 59.66 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.243 1.017 . . . . 0.0 112.764 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.3 -22.85 65.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.639 1.576 . . . . 0.0 113.662 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -60.74 -42.85 98.2 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.637 1.175 . . . . 0.0 111.587 175.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.54 -30.86 41.95 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.205 1.402 . . . . 0.0 112.619 175.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -54.56 -46.18 73.64 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.34 1.056 . . . . 0.0 111.886 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HE3' ' HA ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -56.24 -51.1 69.34 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.638 1.175 . . . . 0.0 112.322 175.015 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -41.57 97.26 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.391 0.676 . . . . 0.0 112.433 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.04 84.79 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.008 0.923 . . . . 0.0 112.573 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.5 m -72.01 -31.83 66.6 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.976 0.91 . . . . 0.0 112.872 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -25.66 65.2 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.396 1.078 . . . . 0.0 112.879 176.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -60.72 -32.78 72.03 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.246 -0.909 . . . . 0.0 112.451 174.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -68.86 -46.02 69.55 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 118.947 0.794 . . . . 0.0 110.764 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -56.64 -36.54 69.64 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.7 0.629 . . . . 0.0 112.7 175.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -54.54 -38.45 66.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.366 0.666 . . . . 0.0 111.811 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -72.06 -47.71 49.59 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.34 -0.85 . . . . 0.0 110.468 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 34.3 mm -55.28 -52.94 40.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.386 1.074 . . . . 0.0 112.528 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 t -60.48 -36.88 79.35 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 118.759 0.709 . . . . 0.0 112.738 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -73.6 -38.5 65.08 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.362 -0.836 . . . . 0.0 112.207 174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.448 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 21.7 t90 -66.17 -34.49 78.15 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.92 1.288 . . . . 0.0 113.055 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.92 -38.2 64.63 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.721 1.209 . . . . 0.0 112.602 179.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -61.84 -34.4 75.89 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.297 1.039 . . . . 0.0 112.976 175.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -34.86 67.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.053 1.341 . . . . 0.0 112.943 175.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 50.3 mm -66.8 -48.13 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.723 1.209 . . . . 0.0 110.684 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.253 1.821 . . . . 0.0 114.575 176.74 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 CA-C-O 121.154 0.502 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -72.61 139.68 47.54 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.485 -1.385 . . . . 0.0 111.967 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -61.85 -26.5 68.17 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -68.49 -40.86 80.73 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.839 0.856 . . . . 0.0 111.877 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 -5.81 51.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.385 1.474 . . . . 0.0 113.768 178.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -54.15 -32.65 55.89 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.881 1.272 . . . . 0.0 112.92 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -57.75 -32.9 67.92 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.166 0.987 . . . . 0.0 113.2 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.48 -28.82 15.87 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.796 1.639 . . . . 0.0 112.365 175.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -56.7 -36.06 69.21 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.326 1.05 . . . . 0.0 112.655 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -58.32 -46.49 86.07 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.835 0.854 . . . . 0.0 111.244 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.3 m95 -70.84 -32.74 69.87 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.104 1.362 . . . . 0.0 113.317 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.25 -38.58 77.17 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.293 0.952 . . . . 0.0 112.394 177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -59.88 -49.07 79.14 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.01 0.924 . . . . 0.0 111.401 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.3 mt -60.27 -42.32 95.16 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.818 1.247 . . . . 0.0 112.176 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -60.73 -47.04 88.08 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.303 1.041 . . . . 0.0 112.092 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.15 -42.88 88.44 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.627 0.771 . . . . 0.0 111.687 175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -55.8 -46.74 77.96 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.185 0.994 . . . . 0.0 112.513 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -49.9 -43.72 49.7 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.004 0.82 . . . . 0.0 112.9 175.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -59.57 -45.27 92.35 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.669 0.788 . . . . 0.0 111.339 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.18 -46.29 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.795 1.238 . . . . 0.0 110.99 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.5 m -57.73 -42.18 83.35 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.266 1.026 . . . . 0.0 112.038 -179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -73.42 -42.59 61.85 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.846 0.859 . . . . 0.0 112.065 174.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.45 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.8 t90 -61.84 -31.01 71.22 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.107 0.963 . . . . 0.0 113.229 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -38.97 54.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.824 1.25 . . . . 0.0 112.482 174.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -34.76 77.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 112.475 176.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.81 -36.84 67.63 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.57 1.548 . . . . 0.0 112.998 175.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.45 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 47.2 mm -67.53 -51.33 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.821 1.248 . . . . 0.0 111.58 176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.119 1.368 . . . . 0.0 113.781 178.005 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.986 -0.53 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.53 108.59 6.47 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 119.865 1.211 . . . . 0.0 112.643 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -59.08 -27.93 66.0 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.799 0.839 . . . . 0.0 113.07 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.27 -29.71 64.16 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.278 1.031 . . . . 0.0 113.137 175.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tp -87.54 -13.66 42.36 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 112.851 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 tp -55.63 -31.6 62.44 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.026 1.73 . . . . 0.0 113.094 177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -57.16 -35.46 69.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.713 1.205 . . . . 0.0 113.197 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.45 -23.23 18.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.066 1.347 . . . . 0.0 112.708 175.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -62.06 -31.87 72.33 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.203 -0.936 . . . . 0.0 111.951 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.4 mttm -60.42 -38.39 83.93 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.054 1.342 . . . . 0.0 112.208 175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -63.12 -26.17 68.7 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.244 1.018 . . . . 0.0 113.589 175.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.96 -36.94 85.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.927 1.24 . . . . 0.0 112.646 175.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -63.56 -49.33 73.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.323 1.049 . . . . 0.0 110.499 174.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.37 -39.56 83.68 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.619 1.168 . . . . 0.0 112.324 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.3 t-105 -57.6 -44.18 85.22 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.713 1.205 . . . . 0.0 112.697 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -62.37 -51.74 66.38 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.434 0.694 . . . . 0.0 111.466 176.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 38.3 t90 -60.15 -40.3 89.39 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -57.09 -41.62 79.22 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.717 1.207 . . . . 0.0 112.373 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -63.91 -43.88 94.62 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.714 -0.616 . . . . 0.0 111.299 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -61.76 -47.06 95.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.905 0.882 . . . . 0.0 112.522 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -61.35 -39.21 89.75 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 119.958 1.253 . . . . 0.0 112.547 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -37.29 73.25 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.519 0.599 . . . . 0.0 111.834 175.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.9 t90 -65.55 -35.55 81.17 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.394 1.078 . . . . 0.0 113.199 176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.53 -31.84 37.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.057 1.343 . . . . 0.0 113.672 178.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -58.42 -38.87 78.3 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 175.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -72.56 -31.13 65.01 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.542 -0.724 . . . . 0.0 112.504 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 19.1 mm -71.27 -47.14 61.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.991 1.316 . . . . 0.0 111.594 177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.262 0 C-N-CA 126.845 2.058 . . . . 0.0 112.193 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.4 m120 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 119.344 -0.36 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -92.14 162.12 14.46 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.277 1.031 . . . . 0.0 113.217 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -59.86 -24.09 63.94 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.006 1.323 . . . . 0.0 113.486 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.32 -34.61 78.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.766 1.227 . . . . 0.0 112.11 175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.44 -37.23 80.06 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.385 -0.822 . . . . 0.0 111.543 174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.17 -32.1 66.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.333 1.053 . . . . 0.0 113.12 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.97 -37.42 71.57 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.828 1.251 . . . . 0.0 112.316 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mp -88.32 -37.44 15.97 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.811 1.244 . . . . 0.0 111.776 175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -59.66 -33.81 72.04 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.577 1.151 . . . . 0.0 112.721 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -59.82 -45.86 91.05 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.403 1.481 . . . . 0.0 111.955 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -62.87 -32.82 74.14 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.78 0.832 . . . . 0.0 112.634 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.88 99.08 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.389 -0.819 . . . . 0.0 112.003 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.1 m -63.55 -38.77 92.39 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.465 -0.772 . . . . 0.0 112.392 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.02 -41.13 91.52 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.306 1.042 . . . . 0.0 111.916 174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -63.98 -43.78 94.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.979 0.512 . . . . 0.0 111.359 175.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -68.68 -34.0 74.93 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.8 t90 -55.94 -43.59 77.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.437 1.095 . . . . 0.0 112.012 175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -39.9 67.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.042 0.937 . . . . 0.0 112.488 178.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -63.78 -43.74 95.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.909 0.884 . . . . 0.0 111.076 175.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 48.2 mm -61.94 -43.6 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.496 1.118 . . . . 0.0 111.778 175.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -58.31 -43.46 88.15 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.18 0.9 . . . . 0.0 111.548 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.33 -30.54 60.31 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 174.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -68.34 -41.79 80.21 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.349 0.977 . . . . 0.0 112.589 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mp -52.92 -33.78 52.15 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.489 1.116 . . . . 0.0 113.265 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.4 m95 -58.35 -38.07 76.46 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -72.76 -30.82 64.44 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.727 0.811 . . . . 0.0 113.147 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.8 mm -66.31 -50.79 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.328 1.051 . . . . 0.0 111.39 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.468 1.507 . . . . 0.0 112.955 177.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.35 82.91 2.07 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.601 1.16 . . . . 0.0 111.397 177.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.7 -33.94 61.66 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.309 1.044 . . . . 0.0 112.106 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -65.02 -30.61 71.6 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.445 1.498 . . . . 0.0 114.221 175.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.08 -27.47 19.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.493 1.117 . . . . 0.0 112.081 174.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.37 -36.97 64.45 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.602 1.561 . . . . 0.0 112.638 -177.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -57.44 -31.28 65.75 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.321 1.449 . . . . 0.0 113.393 175.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.4 tp -92.48 -29.97 15.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.217 1.807 . . . . 0.0 112.028 174.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -55.33 -46.3 76.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.795 1.238 . . . . 0.0 112.752 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -43.97 96.17 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 121.759 -0.588 . . . . 0.0 111.382 175.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.64 -41.8 95.66 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.51 1.124 . . . . 0.0 112.427 177.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.81 79.29 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.523 1.129 . . . . 0.0 113.21 175.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.4 t -57.74 -46.43 84.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.278 1.031 . . . . 0.0 111.737 174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.33 -34.74 78.36 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.03 1.332 . . . . 0.0 113.186 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.17 -45.27 93.69 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.664 0.786 . . . . 0.0 112.146 175.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.39 -35.73 78.12 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.063 0.545 . . . . 0.0 112.158 176.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 83.2 t90 -58.99 -38.85 80.11 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.778 0.831 . . . . 0.0 112.753 174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -55.59 -36.63 67.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.58 0.752 . . . . 0.0 112.715 177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -66.64 -43.2 85.29 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.279 -0.888 . . . . 0.0 111.39 174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.2 mm -59.82 -39.73 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.253 1.021 . . . . 0.0 112.294 177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -37.92 72.11 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.035 0.834 . . . . 0.0 112.424 177.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.41 -29.2 26.36 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 13.1 t90 -60.37 -26.46 66.65 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.329 1.052 . . . . 0.0 113.385 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.7 -39.41 58.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.257 1.023 . . . . 0.0 112.356 175.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -65.12 -29.25 70.09 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.396 1.479 . . . . 0.0 113.034 175.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.84 -41.55 64.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.061 0.945 . . . . 0.0 111.457 175.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.5 mm -67.95 -51.39 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.657 1.183 . . . . 0.0 111.925 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.6 tptt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 125.742 1.617 . . . . 0.0 111.834 179.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.07 -70.55 0.78 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.237 1.015 . . . . 0.0 109.994 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -61.94 -29.71 70.41 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -64.68 -38.4 90.88 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.276 1.03 . . . . 0.0 112.427 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -65.49 -46.43 79.76 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.948 0.899 . . . . 0.0 110.268 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 mt -65.18 -35.85 82.36 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.933 0.893 . . . . 0.0 113.153 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.85 -43.93 63.41 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.596 1.559 . . . . 0.0 112.132 175.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.69 -30.96 28.83 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.775 0.83 . . . . 0.0 113.091 174.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.59 -42.43 78.69 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.231 1.012 . . . . 0.0 112.525 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -68.66 -40.24 80.26 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.615 0.766 . . . . 0.0 111.72 174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -28.34 68.9 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.577 1.151 . . . . 0.0 113.252 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.82 -37.83 77.28 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.531 1.132 . . . . 0.0 113.096 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 m -59.81 -43.26 94.58 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.362 1.065 . . . . 0.0 111.953 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -69.65 -40.0 76.74 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.096 1.358 . . . . 0.0 112.032 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -61.79 -41.99 98.43 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.879 0.872 . . . . 0.0 112.494 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.3 -48.35 81.97 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.009 0.924 . . . . 0.0 110.724 174.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 80.6 t90 -59.35 -47.37 85.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.495 0.718 . . . . 0.0 112.582 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -55.1 -36.57 65.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.117 0.967 . . . . 0.0 112.94 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -60.92 -46.56 90.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.403 0.681 . . . . 0.0 110.882 174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.84 -45.07 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.581 1.152 . . . . 0.0 111.995 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -56.08 -39.38 72.02 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.045 0.838 . . . . 0.0 111.812 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -75.19 -43.15 53.71 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.941 0.896 . . . . 0.0 111.606 174.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.86 -28.16 65.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.561 1.144 . . . . 0.0 113.307 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.06 -36.37 39.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.535 1.134 . . . . 0.0 112.752 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -64.94 -34.33 78.15 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.926 0.89 . . . . 0.0 113.161 174.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -72.72 -36.15 67.72 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.046 1.338 . . . . 0.0 112.693 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -61.34 -47.39 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.661 1.185 . . . . 0.0 111.236 175.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.254 1.315 0 C-N-CA 127.056 2.143 . . . . 0.0 113.852 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -59.84 -43.26 94.69 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.939 0.896 . . . . 0.0 113.222 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.9 -37.23 78.82 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -71.76 -24.69 61.8 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.533 -0.729 . . . . 0.0 112.818 177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 tp -87.69 -22.43 24.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.345 1.058 . . . . 0.0 112.763 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.06 -27.11 61.41 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.767 2.027 . . . . 0.0 112.991 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -33.58 70.2 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.519 1.128 . . . . 0.0 112.517 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.36 -28.06 16.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.909 1.684 . . . . 0.0 111.649 176.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -56.54 -30.6 63.28 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.956 -1.09 . . . . 0.0 112.518 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -58.57 -46.53 86.72 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.244 1.017 . . . . 0.0 111.053 174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -66.28 -36.9 84.16 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.976 0.91 . . . . 0.0 112.079 175.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.29 -34.99 79.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.707 -0.621 . . . . 0.0 112.667 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.0 p -62.62 -41.72 99.16 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.426 -0.797 . . . . 0.0 112.254 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 -42.47 79.35 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.46 1.504 . . . . 0.0 112.823 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 39.0 t-105 -57.94 -46.37 85.15 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.841 0.856 . . . . 0.0 111.847 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -69.28 -43.56 73.62 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.08 0.952 . . . . 0.0 111.84 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.9 t90 -58.21 -35.37 71.56 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.812 1.245 . . . . 0.0 112.737 -177.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -59.78 -32.88 71.02 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.758 0.823 . . . . 0.0 111.994 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -71.56 -46.54 59.17 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.479 -0.763 . . . . 0.0 109.717 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.5 mm -57.19 -49.77 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.085 1.354 . . . . 0.0 112.654 177.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.6 p -57.88 -37.94 74.88 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.578 1.081 . . . . 0.0 112.737 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -75.08 -39.68 60.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.219 0.608 . . . . 0.0 111.806 174.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.465 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 17.9 t90 -65.33 -29.46 70.2 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.728 1.211 . . . . 0.0 113.378 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.49 -38.74 31.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.604 1.162 . . . . 0.0 112.586 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -59.99 -36.14 76.53 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.801 1.24 . . . . 0.0 113.965 175.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.03 -39.97 75.47 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.575 -0.703 . . . . 0.0 111.881 175.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.465 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 39.3 mm -71.15 -45.11 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.948 1.299 . . . . 0.0 111.952 179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt . . . . . 0 C--O 1.253 1.279 0 C-N-CA 126.813 2.045 . . . . 0.0 112.289 -175.575 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 . . . . . 0 N--CA 1.484 1.274 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -130.3 15.79 5.56 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.722 1.209 . . . . 0.0 112.537 -175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -54.37 -33.4 59.09 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.922 2.089 . . . . 0.0 114.231 -177.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.64 -51.19 17.59 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.464 0.705 . . . . 0.0 111.009 175.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -24.2 60.81 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.415 1.486 . . . . 0.0 113.584 176.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 tt -53.2 -27.34 21.17 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 112.312 175.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -55.38 -35.2 65.04 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.752 1.221 . . . . 0.0 112.875 175.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.32 -30.93 15.57 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.719 1.608 . . . . 0.0 112.833 175.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.82 -28.22 63.87 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.823 1.249 . . . . 0.0 112.568 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -55.51 -44.39 76.57 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.222 1.409 . . . . 0.0 111.461 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -39.36 87.76 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.655 1.182 . . . . 0.0 112.517 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.59 74.27 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -56.47 -45.89 80.67 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.393 1.077 . . . . 0.0 111.989 175.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.59 -42.99 97.86 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.457 1.103 . . . . 0.0 112.271 175.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.3 t-105 -57.65 -47.67 81.61 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.931 0.892 . . . . 0.0 112.09 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -63.82 -45.86 87.7 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.197 0.599 . . . . 0.0 112.495 176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -57.69 -40.57 79.77 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.594 0.758 . . . . 0.0 112.692 177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -53.25 -35.22 59.77 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.488 1.115 . . . . 0.0 113.705 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -64.03 -45.48 88.7 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.126 0.97 . . . . 0.0 111.494 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.7 mm -63.12 -40.8 90.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.766 1.226 . . . . 0.0 111.307 175.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.32 -39.12 75.18 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.042 0.837 . . . . 0.0 111.792 176.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -73.75 -43.57 58.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.846 0.858 . . . . 0.0 111.592 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -61.85 -29.05 69.92 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -42.48 48.74 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.946 1.298 . . . . 0.0 112.411 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -60.99 -32.12 71.7 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.785 1.634 . . . . 0.0 113.636 176.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -72.77 -34.64 67.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.361 1.064 . . . . 0.0 112.507 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mm -74.65 -51.31 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.513 1.125 . . . . 0.0 111.905 178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.785 1.634 . . . . 0.0 114.892 179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 21.2 m120 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -133.35 142.71 48.54 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.495 1.518 . . . . 0.0 111.044 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -56.52 -27.08 56.53 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.973 1.309 . . . . 0.0 112.805 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.37 -36.3 73.29 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.744 1.618 . . . . 0.0 112.109 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.47 -33.0 32.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.027 0.931 . . . . 0.0 112.767 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.15 -22.41 60.87 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.17 0.988 . . . . 0.0 113.101 178.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -65.63 -47.71 74.7 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.745 1.218 . . . . 0.0 110.985 174.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.4 tp -76.41 -30.36 57.43 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.123 1.369 . . . . 0.0 112.692 175.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -56.84 -27.99 60.94 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.174 0.99 . . . . 0.0 113.086 179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.35 -47.97 79.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.091 0.956 . . . . 0.0 111.271 174.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.3 m95 -64.71 -30.74 71.76 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.53 62.47 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.42 1.009 . . . . 0.0 112.719 177.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.2 m -58.16 -49.08 78.27 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.839 1.256 . . . . 0.0 111.848 174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.19 -43.82 77.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.006 0.923 . . . . 0.0 112.449 175.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -52.68 -45.9 66.99 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.063 0.945 . . . . 0.0 112.295 175.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -65.23 -43.93 89.85 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.072 0.549 . . . . 0.0 110.895 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -57.18 -41.35 79.14 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.305 -0.872 . . . . 0.0 113.206 177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -59.42 -29.98 68.14 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.965 0.906 . . . . 0.0 112.909 175.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -74.69 -46.53 37.17 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.435 -0.791 . . . . 0.0 109.541 175.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.4 mm -58.46 -47.47 88.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.066 0.946 . . . . 0.0 112.755 177.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 p -58.77 -36.52 74.54 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.719 1.145 . . . . 0.0 113.078 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -78.29 -33.96 49.11 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 118.555 0.616 . . . . 0.0 112.387 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -67.72 -23.89 65.32 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.734 1.214 . . . . 0.0 113.318 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.09 -41.15 62.18 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.5 -0.75 . . . . 0.0 111.217 174.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.69 -30.13 71.27 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.104 1.361 . . . . 0.0 114.424 176.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.75 -47.95 42.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.015 0.926 . . . . 0.0 111.074 175.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 31.3 mm -71.87 -45.09 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 123.752 0.821 . . . . 0.0 112.315 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.107 2.163 . . . . 0.0 111.95 -178.654 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 . . . . . 0 N--CA 1.487 1.379 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -120.08 -30.5 4.66 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -61.55 -28.67 69.5 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.387 -0.821 . . . . 0.0 112.592 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -68.85 -26.75 65.31 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.02 1.328 . . . . 0.0 112.823 174.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.1 -26.61 20.15 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.335 1.454 . . . . 0.0 112.06 175.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -31.59 41.99 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.753 1.221 . . . . 0.0 113.47 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -53.92 -33.89 57.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.101 1.36 . . . . 0.0 113.533 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.07 -28.59 16.27 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.01 1.724 . . . . 0.0 111.572 176.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -58.33 -28.02 64.67 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.204 1.002 . . . . 0.0 112.879 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -47.26 75.83 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 119.23 0.923 . . . . 0.0 112.035 174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -67.31 -33.69 75.81 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.306 0.642 . . . . 0.0 112.19 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.04 -28.55 65.56 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 175.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -58.96 -37.73 77.44 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 120.916 -1.115 . . . . 0.0 112.27 175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.84 -37.01 82.87 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.608 0.763 . . . . 0.0 111.846 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -38.16 84.56 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.435 0.694 . . . . 0.0 111.836 174.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.57 -31.7 70.03 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -57.7 -29.42 64.67 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.555 1.142 . . . . 0.0 113.823 176.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -58.64 -28.15 65.41 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 119.306 0.957 . . . . 0.0 112.695 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.4 -41.32 20.06 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.539 -0.726 . . . . 0.0 109.808 175.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.8 mm -60.0 -43.26 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.623 1.169 . . . . 0.0 112.73 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.4 p -56.18 -37.65 69.86 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 119.432 1.015 . . . . 0.0 112.962 175.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.49 -37.96 27.08 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.333 0.653 . . . . 0.0 112.4 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -65.64 -27.28 68.26 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.902 1.281 . . . . 0.0 113.336 177.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -40.67 51.82 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.507 1.523 . . . . 0.0 112.688 175.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -62.73 -30.56 71.52 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.225 1.41 . . . . 0.0 113.397 174.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.7 -39.8 66.71 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.856 1.262 . . . . 0.0 111.802 174.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 35.4 mm -67.07 -51.03 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.762 1.225 . . . . 0.0 111.755 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.635 1.974 . . . . 0.0 112.813 -174.709 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.587 -0.721 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -65.29 73.11 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.833 1.653 . . . . 0.0 114.199 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.95 -27.85 69.68 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.764 1.626 . . . . 0.0 113.121 174.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.94 -35.98 82.46 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.836 0.855 . . . . 0.0 111.501 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.47 -48.65 66.54 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 123.122 0.569 . . . . 0.0 109.659 175.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.9 tp -57.84 -41.24 81.92 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.645 1.178 . . . . 0.0 112.985 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.49 -42.66 74.73 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.969 0.908 . . . . 0.0 112.054 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.88 -27.22 36.41 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.752 1.221 . . . . 0.0 113.883 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.31 -37.07 81.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.368 1.467 . . . . 0.0 112.183 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -63.78 -44.72 92.56 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.776 1.23 . . . . 0.0 110.23 175.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -66.82 -29.53 69.49 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.229 1.412 . . . . 0.0 113.492 175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.64 -28.44 63.71 Favored 'General case' 0 CA--C 1.55 0.955 0 CA-C-N 119.599 1.09 . . . . 0.0 113.11 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 m -74.43 -42.24 59.48 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.522 0.729 . . . . 0.0 111.25 175.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.46 -32.68 73.59 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.695 1.198 . . . . 0.0 112.328 175.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -57.64 -39.33 76.75 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.008 0.923 . . . . 0.0 113.333 174.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -65.61 -48.53 71.93 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.174 0.59 . . . . 0.0 110.576 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 34.6 t90 -58.27 -30.64 66.75 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -56.5 -30.92 63.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.045 0.938 . . . . 0.0 112.804 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.95 -38.8 52.6 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.199 -0.938 . . . . 0.0 111.269 174.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.89 -38.9 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 125.322 1.449 . . . . 0.0 112.348 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -39.82 72.69 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 119.558 1.072 . . . . 0.0 112.736 175.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -77.76 -40.96 39.19 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.457 0.703 . . . . 0.0 111.247 175.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.8 t90 -61.73 -25.31 67.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 113.558 0.948 . . . . 0.0 113.558 178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.59 -44.68 56.97 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.409 1.083 . . . . 0.0 111.623 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 86.3 m95 -65.96 -26.36 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.591 1.556 . . . . 0.0 114.429 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.84 -40.17 65.96 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.367 -0.833 . . . . 0.0 110.74 174.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.6 mm -76.44 -51.38 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.187 0.995 . . . . 0.0 112.134 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.4 mttt . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.617 1.567 . . . . 0.0 112.83 176.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.3 m120 . . . . . 0 N--CA 1.487 1.389 0 N-CA-C 110.441 -0.207 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -140.63 156.9 46.13 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.418 1.487 . . . . 0.0 110.762 176.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.78 -26.22 67.96 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -59.39 -34.97 73.09 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.025 0.93 . . . . 0.0 112.967 175.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 tt -72.75 -43.29 63.07 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.212 0.605 . . . . 0.0 110.973 177.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mt -62.1 -39.07 91.25 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.28 1.432 . . . . 0.0 113.316 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -52.65 -46.54 67.19 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.394 1.078 . . . . 0.0 111.943 175.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.87 -27.97 40.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.835 0.854 . . . . 0.0 112.759 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -59.55 -45.32 92.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.971 1.308 . . . . 0.0 112.402 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -59.6 -40.9 89.03 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.517 -0.74 . . . . 0.0 112.051 175.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -68.44 -33.23 73.83 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.8 0.84 . . . . 0.0 113.203 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.58 -28.67 69.31 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.93 -1.107 . . . . 0.0 113.386 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.0 m -64.16 -30.05 71.13 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.957 -1.089 . . . . 0.0 113.411 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.62 -40.39 94.67 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.044 0.838 . . . . 0.0 112.058 175.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -60.66 -36.63 79.16 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.391 0.676 . . . . 0.0 112.087 175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -42.09 73.04 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.42 0.688 . . . . 0.0 111.857 175.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 40.5 t90 -60.51 -35.68 76.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.94 0.896 . . . . 0.0 113.144 175.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -58.16 -29.98 66.03 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.58 -0.7 . . . . 0.0 112.548 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.57 68.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.91 -1.119 . . . . 0.0 111.26 175.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.3 mm -62.35 -50.09 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.107 1.363 . . . . 0.0 111.497 177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.4 p -56.47 -33.87 66.34 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.388 0.675 . . . . 0.0 112.666 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -82.03 -43.18 18.28 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.246 1.018 . . . . 0.0 112.381 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -58.96 -28.7 66.54 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.529 1.132 . . . . 0.0 113.092 178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -38.51 57.04 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.275 1.03 . . . . 0.0 112.414 174.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 53.2 m95 -65.8 -28.31 68.91 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.933 0.893 . . . . 0.0 113.355 175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -72.73 -37.58 67.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.836 0.854 . . . . 0.0 111.262 175.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 36.3 mm -67.7 -50.36 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 124.858 1.263 . . . . 0.0 111.745 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.011 1.724 . . . . 0.0 112.632 -178.434 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 45.7 m-20 . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 118.617 -0.706 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -135.92 151.8 50.35 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.75 1.159 . . . . 0.0 112.838 -179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -59.15 -34.97 72.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.442 1.497 . . . . 0.0 113.537 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -60.68 -40.29 91.63 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.608 0.763 . . . . 0.0 112.464 175.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.62 -44.5 86.3 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.007 0.523 . . . . 0.0 110.538 175.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.04 -37.07 81.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.276 1.03 . . . . 0.0 113.638 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -61.63 -43.14 99.41 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.355 0.98 . . . . 0.0 111.725 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.53 -27.83 58.86 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.442 0.904 . . . . 0.0 113.442 176.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.56 -41.9 81.95 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.224 1.41 . . . . 0.0 112.405 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -63.11 -43.35 98.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.192 1.397 . . . . 0.0 112.084 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -68.1 -37.07 80.77 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.968 0.907 . . . . 0.0 112.715 176.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.85 -32.8 66.17 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.389 1.075 . . . . 0.0 112.926 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.1 m -58.53 -56.96 15.38 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.026 0.931 . . . . 0.0 111.689 175.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt -62.89 -40.21 96.84 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.098 0.959 . . . . 0.0 112.657 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 48.8 t-105 -61.1 -51.26 69.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.173 0.989 . . . . 0.0 112.447 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -67.95 -35.71 78.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.607 0.763 . . . . 0.0 111.998 175.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 62.4 t90 -58.68 -40.34 83.3 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 118.979 0.809 . . . . 0.0 112.189 175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -51.55 -37.36 49.19 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.168 0.987 . . . . 0.0 113.322 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.68 90.36 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.157 0.983 . . . . 0.0 111.416 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 43.2 mm -62.14 -43.83 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.269 1.428 . . . . 0.0 111.588 175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -38.18 70.97 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.778 0.831 . . . . 0.0 111.741 177.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -75.58 -45.47 37.52 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.036 0.935 . . . . 0.0 111.416 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -59.14 -26.76 65.02 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.921 1.288 . . . . 0.0 113.703 -178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.65 -42.25 56.24 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.964 1.305 . . . . 0.0 112.56 175.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -64.04 -34.58 78.33 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.408 1.083 . . . . 0.0 113.192 175.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -70.04 -38.77 75.92 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.633 1.173 . . . . 0.0 112.273 176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.7 mm -66.78 -49.16 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.608 1.163 . . . . 0.0 111.018 175.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.066 2.546 . . . . 0.0 113.183 -177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.922 0.391 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.41 -62.39 1.54 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.191 1.396 . . . . 0.0 109.715 179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -56.27 -34.09 66.1 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.59 1.556 . . . . 0.0 114.498 178.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -70.11 -35.14 73.91 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.478 -0.764 . . . . 0.0 112.843 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -77.27 -30.93 54.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.535 0.734 . . . . 0.0 111.262 175.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.11 -28.87 65.04 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.739 1.215 . . . . 0.0 113.254 178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.7 -42.01 78.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.918 1.287 . . . . 0.0 111.739 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.88 -36.63 31.05 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.644 1.178 . . . . 0.0 111.308 175.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -58.78 -28.83 66.32 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mttm -54.06 -46.74 72.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.904 1.282 . . . . 0.0 112.307 174.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -64.38 -40.03 95.03 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.118 0.967 . . . . 0.0 112.507 177.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.13 86.52 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.503 0.721 . . . . 0.0 112.162 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -64.88 -45.41 86.1 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.372 1.069 . . . . 0.0 111.457 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.9 mt -59.39 -26.77 65.4 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.096 1.358 . . . . 0.0 113.247 174.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.93 -43.82 98.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.065 0.946 . . . . 0.0 112.272 174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.36 -38.17 74.74 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.901 0.881 . . . . 0.0 111.95 174.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 64.4 t90 -57.33 -30.82 65.11 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.05 -38.27 73.0 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.67 0.788 . . . . 0.0 112.54 175.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -68.08 -42.17 80.79 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.473 -0.767 . . . . 0.0 110.746 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.0 mm -58.42 -43.35 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.812 1.245 . . . . 0.0 112.061 178.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.17 -39.41 72.33 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.522 1.056 . . . . 0.0 113.495 175.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -80.62 -38.44 29.26 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.795 0.725 . . . . 0.0 112.541 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.505 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 18.6 t90 -61.83 -28.55 69.56 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.516 1.126 . . . . 0.0 112.988 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.29 -41.26 60.35 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.337 1.455 . . . . 0.0 111.8 174.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -65.34 -27.48 68.62 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 175.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -72.87 -37.95 67.17 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.911 0.884 . . . . 0.0 111.566 175.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.505 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 40.4 mm -75.23 -51.37 21.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.634 1.174 . . . . 0.0 111.98 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.22 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -174.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 66.0 t30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 119.129 -0.463 . . . . 0.0 111.701 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.16 95.83 0.14 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.714 1.143 . . . . 0.0 113.422 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -58.22 -28.42 64.83 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.542 1.137 . . . . 0.0 113.579 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -70.6 -33.41 71.03 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.894 1.278 . . . . 0.0 112.317 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -76.67 -30.78 56.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.508 1.123 . . . . 0.0 111.149 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.16 -22.47 40.52 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.883 1.673 . . . . 0.0 113.663 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -65.66 -49.28 69.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.693 1.197 . . . . 0.0 110.757 175.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.6 mp -76.2 -31.24 58.33 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.785 0.834 . . . . 0.0 112.109 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -57.02 -36.61 70.63 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.924 0.784 . . . . 0.0 111.992 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -55.18 36.17 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.135 0.974 . . . . 0.0 110.413 174.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -59.25 -33.65 71.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.802 1.241 . . . . 0.0 114.032 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.0 -33.62 67.32 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.049 0.841 . . . . 0.0 112.672 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 54.2 p -72.22 -40.76 67.56 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.515 -0.741 . . . . 0.0 112.49 175.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.0 -34.89 79.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.007 0.923 . . . . 0.0 112.755 174.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -55.71 -42.56 75.45 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.218 1.007 . . . . 0.0 112.885 175.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.25 -45.24 85.38 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.232 0.613 . . . . 0.0 111.657 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -58.86 -37.17 75.88 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 175.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -32.72 65.49 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.541 1.136 . . . . 0.0 113.565 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -72.1 -37.73 69.49 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.311 -0.868 . . . . 0.0 111.236 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.84 -44.58 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 124.153 0.981 . . . . 0.0 111.711 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -38.16 71.43 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 118.99 0.814 . . . . 0.0 112.638 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t30 -74.3 -44.95 50.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.295 0.638 . . . . 0.0 112.16 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -62.95 -25.68 68.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.648 1.179 . . . . 0.0 113.548 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.38 -41.29 63.0 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.389 1.476 . . . . 0.0 111.922 175.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -65.17 -27.21 68.55 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 113.291 175.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -72.87 -38.97 66.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.487 1.115 . . . . 0.0 111.467 174.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.5 mm -67.13 -51.03 58.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.502 1.121 . . . . 0.0 111.903 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttp . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.344 1.458 . . . . 0.0 112.328 176.297 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -158.37 161.18 37.55 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.108 -0.995 . . . . 0.0 112.97 -177.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -61.53 -34.48 75.61 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.187 1.395 . . . . 0.0 112.86 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.3 -34.88 78.65 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.089 1.355 . . . . 0.0 112.359 176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 tp -73.12 -37.4 66.7 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.753 0.821 . . . . 0.0 111.289 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.42 -31.59 64.05 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.128 1.371 . . . . 0.0 113.11 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.91 -45.82 85.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.188 1.395 . . . . 0.0 112.19 174.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -29.19 32.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.176 0.991 . . . . 0.0 112.716 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.0 -40.31 73.18 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 125.047 1.339 . . . . 0.0 112.554 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -50.49 70.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.849 1.259 . . . . 0.0 111.669 175.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -65.03 -44.61 88.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.335 1.054 . . . . 0.0 112.895 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.23 -41.87 89.71 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.563 0.745 . . . . 0.0 112.133 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.3 m -58.51 -49.82 75.98 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.72 1.208 . . . . 0.0 111.291 175.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.3 mt -59.38 -45.95 90.01 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.721 0.808 . . . . 0.0 112.464 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -62.05 -42.92 99.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.398 0.679 . . . . 0.0 112.576 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -68.11 -45.97 72.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.582 0.753 . . . . 0.0 111.201 174.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -59.96 -30.45 69.1 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.169 0.988 . . . . 0.0 113.182 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -58.2 -31.06 66.95 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.385 -0.822 . . . . 0.0 112.078 174.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -76.7 -37.56 55.92 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.023 -1.048 . . . . 0.0 110.621 174.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 47.8 mm -57.87 -41.6 80.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 125.025 1.33 . . . . 0.0 112.42 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 68.1 p -58.97 -35.83 73.85 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.737 0.699 . . . . 0.0 112.85 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -85.48 -32.96 21.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.099 0.96 . . . . 0.0 112.431 174.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CZ2' HD11 ' A' ' 27' ' ' ILE . 15.9 t90 -59.68 -30.52 68.83 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.985 1.314 . . . . 0.0 112.732 176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -42.15 61.4 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.429 1.492 . . . . 0.0 111.984 174.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -69.49 -28.58 66.18 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.479 1.112 . . . . 0.0 113.077 175.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -71.61 -34.35 69.78 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.321 1.048 . . . . 0.0 112.575 175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.401 HD11 ' CZ2' ' A' ' 23' ' ' TRP . 38.4 mm -65.97 -51.44 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.324 1.05 . . . . 0.0 111.984 176.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 mptt . . . . . 0 C--O 1.253 1.256 0 C-N-CA 125.067 1.347 . . . . 0.0 112.631 178.931 . . . . . . . . 0 0 . 1 stop_ save_