data_2mg3_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 2mg3 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -55.62 -31.94 62.7 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.833 1.653 . . . . 0.0 114.532 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.25 -29.46 70.55 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.75 -0.8 57.67 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.521 1.128 . . . . 0.0 112.912 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -61.69 -22.03 64.96 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.763 -1.211 . . . . 0.0 114.11 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -15.16 63.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 113.195 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.4 94.78 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.804 -1.185 . . . . 0.0 109.196 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.6 pt -55.23 -25.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.111 0.964 . . . . 0.0 112.255 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.69 -25.15 25.4 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.983 2.513 . . . . 0.0 114.29 174.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.42 -50.55 51.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.24 0.927 . . . . 0.0 111.905 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -95.04 0.19 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -57.5 -30.24 64.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.746 -1.846 . . . . 0.0 114.187 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -60.02 -26.79 66.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.563 1.545 . . . . 0.0 113.902 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -91.18 1.5 57.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.555 1.142 . . . . 0.0 113.836 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -66.7 -34.55 78.09 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.689 -1.257 . . . . 0.0 112.715 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -10.24 59.26 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.165 1.386 . . . . 0.0 114.161 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -70.78 90.23 0.78 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.798 -1.189 . . . . 0.0 110.838 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -55.29 -24.05 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.712 1.205 . . . . 0.0 113.18 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -56.82 -22.63 37.86 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.296 1.439 . . . . 0.0 114.201 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.71 -51.16 59.15 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.037 0.835 . . . . 0.0 110.918 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -95.03 -1.44 52.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -60.78 -25.12 66.31 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 119.866 -1.771 . . . . 0.0 114.388 -170.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -55.12 -29.79 58.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.144 1.778 . . . . 0.0 113.066 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -65.16 -37.25 86.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.775 0.83 . . . . 0.0 112.5 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.94 -25.85 65.67 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.222 -0.924 . . . . 0.0 112.774 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -13.6 61.26 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.393 1.477 . . . . 0.0 113.198 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -66.08 102.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.8 pt -58.37 -22.56 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.586 0.754 . . . . 0.0 112.79 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.6 p -57.34 -24.51 55.58 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.109 1.764 . . . . 0.0 114.265 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.22 -52.79 52.37 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.222 0.919 . . . . 0.0 111.147 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -95.03 -0.34 53.81 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -60.52 -33.91 73.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.906 -1.746 . . . . 0.0 114.182 -166.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.88 -31.87 70.2 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.316 1.847 . . . . 0.0 113.223 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -91.36 -3.18 57.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.233 1.413 . . . . 0.0 113.067 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -64.08 -25.59 68.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.429 1.091 . . . . 0.0 113.495 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -9.07 57.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.655 1.582 . . . . 0.0 113.52 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -70.92 87.12 0.72 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.844 -1.16 . . . . 0.0 110.666 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 pt -55.87 -25.17 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.431 1.092 . . . . 0.0 112.913 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -55.54 -27.1 46.87 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.551 1.54 . . . . 0.0 114.223 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.96 -49.8 68.89 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.329 -0.857 . . . . 0.0 112.123 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -95.01 -0.87 53.39 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -61.71 -30.85 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.383 1.902 . . . . 0.0 114.218 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.83 -35.41 68.77 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.547 1.539 . . . . 0.0 113.29 176.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.44 12.67 24.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.385 1.474 . . . . 0.0 113.717 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -79.43 -36.15 39.43 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.074 -1.016 . . . . 0.0 113.196 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -15.08 63.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.6 1.16 . . . . 0.0 113.523 177.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.31 95.69 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.818 1.247 . . . . 0.0 110.718 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.26 -25.54 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.788 0.835 . . . . 0.0 112.276 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.0 p -54.79 -24.38 22.41 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.789 2.036 . . . . 0.0 114.438 175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.14 -53.73 23.11 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.361 0.982 . . . . 0.0 111.372 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -93.4 0.29 56.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.974 1.31 . . . . 0.0 114.519 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? . . . . . 0 N--CA 1.497 1.913 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -55.43 -28.32 53.55 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 126.594 1.958 . . . . 0.0 115.285 -175.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -56.35 -31.44 63.77 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.948 1.299 . . . . 0.0 113.027 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -91.41 5.62 48.65 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.712 1.605 . . . . 0.0 113.601 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -71.07 -34.16 70.92 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.423 -1.423 . . . . 0.0 113.408 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -15.58 62.72 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.421 1.088 . . . . 0.0 113.638 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.74 101.47 0.64 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 120.854 -1.154 . . . . 0.0 110.769 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 pt -56.32 -23.46 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.926 0.89 . . . . 0.0 112.787 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 p -55.94 -23.82 34.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.262 1.825 . . . . 0.0 114.49 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -52.06 48.64 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.313 0.961 . . . . 0.0 110.887 175.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -95.07 -1.1 52.85 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -52.27 -38.34 58.0 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.579 1.552 . . . . 0.0 114.115 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -52.37 -31.3 33.14 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 127.616 2.366 . . . . 0.0 114.506 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -116.59 11.68 14.82 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 113.549 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -67.54 -34.4 77.02 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.942 -1.099 . . . . 0.0 113.242 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -13.47 62.04 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.519 1.127 . . . . 0.0 113.819 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.7 94.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.937 -1.102 . . . . 0.0 109.664 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.7 pt -54.76 -23.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.446 1.098 . . . . 0.0 112.672 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -26.04 29.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 114.26 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -65.19 -52.43 54.93 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.408 1.004 . . . . 0.0 111.16 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -95.0 -0.69 53.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -34.65 18.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 126.632 1.973 . . . . 0.0 114.586 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -58.32 -25.54 62.03 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.979 1.712 . . . . 0.0 114.213 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -102.65 10.8 38.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.913 2.085 . . . . 0.0 112.475 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -69.11 -37.22 78.26 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.376 -1.453 . . . . 0.0 113.052 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -10.69 60.07 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.234 1.413 . . . . 0.0 113.805 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.31 90.55 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.731 -1.231 . . . . 0.0 110.276 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -55.63 -26.23 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.355 1.062 . . . . 0.0 112.752 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -53.6 -27.95 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.103 1.761 . . . . 0.0 114.256 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -64.9 -48.82 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.233 -0.917 . . . . 0.0 112.32 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -94.97 -0.98 53.37 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -58.93 -31.47 68.69 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.701 1.2 . . . . 0.0 113.722 -174.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -55.47 -24.0 28.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.494 1.918 . . . . 0.0 114.803 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 0.4 23.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.838 1.655 . . . . 0.0 112.641 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.78 -33.43 72.38 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.385 1.074 . . . . 0.0 112.937 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.25 17.25 2.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.3 1.44 . . . . 0.0 114.219 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.84 -16.71 2.82 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.2 pt -49.95 -25.12 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.442 1.897 . . . . 0.0 113.565 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.6 p -62.35 -36.02 80.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.344 1.058 . . . . 0.0 111.976 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.92 -27.95 39.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.587 1.155 . . . . 0.0 111.885 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.39 -32.54 70.25 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.292 0.951 . . . . 0.0 111.957 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -58.9 -40.36 84.23 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.777 -1.827 . . . . 0.0 113.777 -174.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -63.86 -42.41 97.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.302 1.441 . . . . 0.0 112.695 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.48 1.52 53.23 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.585 1.554 . . . . 0.0 113.68 -175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -61.12 -12.91 14.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.69 1.596 . . . . 0.0 114.91 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 0.82 5.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.387 1.875 . . . . 0.0 114.51 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 97.13 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.358 1.863 . . . . 0.0 113.821 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -60.24 -20.95 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.789 1.236 . . . . 0.0 113.304 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.282 1.033 . . . . 0.0 111.91 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -30.46 32.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.246 1.019 . . . . 0.0 112.283 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -59.75 -30.42 68.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.505 0.722 . . . . 0.0 112.712 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.559 -0.734 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -43.89 -33.25 1.3 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 127.615 2.366 . . . . 0.0 115.954 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -52.95 -26.69 15.91 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.854 1.662 . . . . 0.0 114.191 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.64 -36.42 82.52 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.209 0.913 . . . . 0.0 112.24 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.71 -9.41 58.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.211 1.004 . . . . 0.0 113.136 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.94 12.33 15.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.401 1.88 . . . . 0.0 113.78 175.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.32 93.53 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.718 1.607 . . . . 0.0 113.109 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -57.68 -21.86 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.299 1.439 . . . . 0.0 113.344 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -56.96 -36.29 70.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.726 1.211 . . . . 0.0 111.597 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.59 -31.13 36.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.351 -0.843 . . . . 0.0 112.132 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -58.33 -31.69 67.8 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.526 -0.734 . . . . 0.0 112.822 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -59.17 -30.24 68.03 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.548 1.139 . . . . 0.0 113.65 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.56 -22.32 61.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.597 1.559 . . . . 0.0 113.54 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.35 -1.08 42.48 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.431 1.492 . . . . 0.0 113.167 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.14 -26.53 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.64 -1.287 . . . . 0.0 113.941 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.51 24.6 3.4 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.894 1.678 . . . . 0.0 113.299 176.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -56.26 88.78 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.073 2.149 . . . . 0.0 115.039 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 pt -55.15 -20.65 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.908 1.283 . . . . 0.0 114.076 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -59.26 -30.62 68.42 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.159 1.384 . . . . 0.0 112.068 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -85.99 -29.07 23.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.063 1.345 . . . . 0.0 111.426 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -62.45 -29.48 70.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.478 -0.763 . . . . 0.0 112.0 174.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.717 -0.658 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.11 -44.78 94.71 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.086 1.312 . . . . 0.0 114.09 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -58.7 -38.03 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.673 0.789 . . . . 0.0 113.053 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.0 13.29 25.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.536 1.535 . . . . 0.0 112.978 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -63.47 -31.28 72.4 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.541 -1.349 . . . . 0.0 113.204 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.4 14.77 6.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.814 1.646 . . . . 0.0 113.606 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.84 103.56 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.952 1.301 . . . . 0.0 113.653 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -64.8 -10.52 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.135 -0.978 . . . . 0.0 113.504 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -46.76 73.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.704 1.602 . . . . 0.0 112.638 174.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.81 -27.7 58.02 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.005 0.82 . . . . 0.0 112.31 175.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -61.17 -30.65 70.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.074 0.852 . . . . 0.0 112.326 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -60.31 -33.02 71.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.584 1.554 . . . . 0.0 114.483 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -58.91 -30.15 67.6 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.349 1.06 . . . . 0.0 113.577 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -100.15 9.88 42.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.057 1.743 . . . . 0.0 113.544 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -69.53 -46.45 66.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.548 -1.345 . . . . 0.0 113.278 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -11.01 60.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.142 1.377 . . . . 0.0 113.704 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.13 91.87 0.37 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.647 1.179 . . . . 0.0 110.552 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -58.29 -12.66 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.016 1.326 . . . . 0.0 113.419 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -43.41 71.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.914 2.086 . . . . 0.0 112.005 174.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -76.84 -31.17 56.69 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.994 0.518 . . . . 0.0 112.182 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -59.35 -31.06 68.85 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.442 0.697 . . . . 0.0 112.721 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.6 tptt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -51.91 -26.6 10.65 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.833 1.653 . . . . 0.0 114.596 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -53.7 -36.58 62.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.922 1.289 . . . . 0.0 112.292 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.13 1.6 52.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.349 1.46 . . . . 0.0 113.773 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -69.89 -36.53 75.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.448 -1.407 . . . . 0.0 112.753 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.65 16.12 3.42 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.455 1.502 . . . . 0.0 113.732 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.18 95.56 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.282 1.833 . . . . 0.0 113.251 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -58.01 -20.88 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.135 1.374 . . . . 0.0 113.667 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -56.72 -33.75 66.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.638 1.175 . . . . 0.0 112.152 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.78 -30.29 24.74 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.718 0.807 . . . . 0.0 111.817 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -58.28 -31.73 67.75 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.077 -1.015 . . . . 0.0 112.224 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -58.22 -32.39 68.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.004 -1.685 . . . . 0.0 113.581 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -55.16 -27.57 46.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.993 2.117 . . . . 0.0 113.833 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -111.62 7.27 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.253 1.821 . . . . 0.0 112.875 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.61 -21.21 41.76 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.19 21.23 5.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.005 1.722 . . . . 0.0 112.835 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -66.14 80.96 0.08 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.18 2.192 . . . . 0.0 114.096 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -53.8 -24.06 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.767 1.227 . . . . 0.0 113.756 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -56.11 -37.03 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.391 1.476 . . . . 0.0 111.762 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.34 -28.43 29.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.177 0.991 . . . . 0.0 112.201 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -59.96 -30.87 69.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -53.92 -28.02 34.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.609 -1.932 . . . . 0.0 115.695 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -69.09 -20.59 64.08 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -97.89 9.97 41.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.762 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -64.52 -21.18 66.61 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.407 -1.433 . . . . 0.0 114.065 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -14.67 60.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.516 1.126 . . . . 0.0 113.556 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.27 105.22 1.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.783 -1.198 . . . . 0.0 110.594 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 pt -57.16 -17.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.591 1.156 . . . . 0.0 113.277 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 p -59.34 -38.41 80.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.272 1.429 . . . . 0.0 111.682 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -73.71 -32.54 63.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.669 0.788 . . . . 0.0 111.443 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -61.72 -30.55 70.84 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.706 0.803 . . . . 0.0 113.075 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 mttt . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.11 -29.48 67.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 119.522 -1.986 . . . . 0.0 114.556 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -38.53 71.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.611 1.165 . . . . 0.0 112.747 175.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -100.06 -6.66 26.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.064 1.745 . . . . 0.0 113.369 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -64.22 -36.32 83.68 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.812 -1.18 . . . . 0.0 113.079 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.37 13.88 10.78 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.317 1.447 . . . . 0.0 114.049 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.06 97.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.625 1.17 . . . . 0.0 112.441 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 pt -56.97 -19.32 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 113.591 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.9 p -60.64 -34.61 74.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.227 1.411 . . . . 0.0 111.579 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -81.28 -31.16 33.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.27 1.028 . . . . 0.0 111.55 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.74 -30.95 67.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 112.412 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -50.21 -39.17 43.54 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.729 2.012 . . . . 0.0 113.939 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -52.13 -40.55 61.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.48 1.912 . . . . 0.0 113.238 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.86 5.77 49.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.801 1.64 . . . . 0.0 112.98 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.37 -21.41 49.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.492 1.117 . . . . 0.0 113.73 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.06 21.2 11.08 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.611 1.964 . . . . 0.0 112.938 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -59.49 93.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.855 2.062 . . . . 0.0 113.626 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 pt -55.59 -21.58 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.454 1.102 . . . . 0.0 113.875 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -59.51 -34.09 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.107 1.763 . . . . 0.0 111.307 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.8 -33.46 27.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.483 1.113 . . . . 0.0 111.395 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -56.47 -30.58 63.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.776 0.831 . . . . 0.0 112.988 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.6 mttm . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.835 0.35 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -54.26 -28.92 44.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.71 2.004 . . . . 0.0 114.029 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -40.02 63.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.501 1.52 . . . . 0.0 112.285 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.83 -35.11 74.51 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.663 1.185 . . . . 0.0 112.229 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.31 -36.31 71.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.905 -1.122 . . . . 0.0 111.846 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.57 9.22 14.2 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.099 1.76 . . . . 0.0 114.434 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.73 100.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 112.525 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -56.42 -20.94 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.422 1.489 . . . . 0.0 113.084 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -35.23 72.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.046 1.738 . . . . 0.0 111.653 174.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.63 -30.13 27.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.256 0.622 . . . . 0.0 112.074 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -57.76 -30.56 65.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.932 0.787 . . . . 0.0 112.609 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CH2' HD13 ' A' ' 17' ' ' LEU . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CH2' HD13 ' A' ' 17' ' ' LEU . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.412 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HD13 ' A' ' 17' ' ' LEU . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.415 ' CH2' HD13 ' A' ' 17' ' ' LEU . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CH2' HD13 ' A' ' 17' ' ' LEU . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' PHE . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -55.62 -31.94 62.7 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.833 1.653 . . . . 0.0 114.532 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.25 -29.46 70.55 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.75 -0.8 57.67 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.521 1.128 . . . . 0.0 112.912 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -61.69 -22.03 64.96 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.763 -1.211 . . . . 0.0 114.11 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -15.16 63.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 113.195 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.4 94.78 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.804 -1.185 . . . . 0.0 109.196 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.6 pt -55.23 -25.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.111 0.964 . . . . 0.0 112.255 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -54.69 -25.15 25.4 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.983 2.513 . . . . 0.0 114.29 174.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.42 -50.55 51.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.24 0.927 . . . . 0.0 111.905 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -95.04 0.19 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 9' ' ' THR . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CH2' HD13 ' A' ' 17' ' ' LEU . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -57.5 -30.24 64.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.746 -1.846 . . . . 0.0 114.187 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -60.02 -26.79 66.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.563 1.545 . . . . 0.0 113.902 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -91.18 1.5 57.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.555 1.142 . . . . 0.0 113.836 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -66.7 -34.55 78.09 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.689 -1.257 . . . . 0.0 112.715 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -10.24 59.26 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.165 1.386 . . . . 0.0 114.161 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -70.78 90.23 0.78 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.798 -1.189 . . . . 0.0 110.838 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -55.29 -24.05 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.712 1.205 . . . . 0.0 113.18 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -56.82 -22.63 37.86 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.296 1.439 . . . . 0.0 114.201 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.71 -51.16 59.15 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.037 0.835 . . . . 0.0 110.918 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -95.03 -1.44 52.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -60.78 -25.12 66.31 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 119.866 -1.771 . . . . 0.0 114.388 -170.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -55.12 -29.79 58.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.144 1.778 . . . . 0.0 113.066 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -65.16 -37.25 86.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.775 0.83 . . . . 0.0 112.5 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.94 -25.85 65.67 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.222 -0.924 . . . . 0.0 112.774 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -13.6 61.26 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.393 1.477 . . . . 0.0 113.198 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -66.08 102.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.8 pt -58.37 -22.56 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.586 0.754 . . . . 0.0 112.79 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.6 p -57.34 -24.51 55.58 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.109 1.764 . . . . 0.0 114.265 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.22 -52.79 52.37 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.222 0.919 . . . . 0.0 111.147 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -95.03 -0.34 53.81 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CH2' HD13 ' A' ' 17' ' ' LEU . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -60.52 -33.91 73.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.906 -1.746 . . . . 0.0 114.182 -166.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.88 -31.87 70.2 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.316 1.847 . . . . 0.0 113.223 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -91.36 -3.18 57.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.233 1.413 . . . . 0.0 113.067 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -64.08 -25.59 68.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.429 1.091 . . . . 0.0 113.495 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -9.07 57.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.655 1.582 . . . . 0.0 113.52 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -70.92 87.12 0.72 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.844 -1.16 . . . . 0.0 110.666 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 pt -55.87 -25.17 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.431 1.092 . . . . 0.0 112.913 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -55.54 -27.1 46.87 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.551 1.54 . . . . 0.0 114.223 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.96 -49.8 68.89 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.329 -0.857 . . . . 0.0 112.123 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -95.01 -0.87 53.39 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.412 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -61.71 -30.85 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.383 1.902 . . . . 0.0 114.218 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.83 -35.41 68.77 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.547 1.539 . . . . 0.0 113.29 176.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.44 12.67 24.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.385 1.474 . . . . 0.0 113.717 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -79.43 -36.15 39.43 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.074 -1.016 . . . . 0.0 113.196 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -15.08 63.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.6 1.16 . . . . 0.0 113.523 177.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.31 95.69 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.818 1.247 . . . . 0.0 110.718 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.26 -25.54 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.788 0.835 . . . . 0.0 112.276 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.0 p -54.79 -24.38 22.41 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.789 2.036 . . . . 0.0 114.438 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.14 -53.73 23.11 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.361 0.982 . . . . 0.0 111.372 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -93.4 0.29 56.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.974 1.31 . . . . 0.0 114.519 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 9' ' ' THR . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HD13 ' A' ' 17' ' ' LEU . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? . . . . . 0 N--CA 1.497 1.913 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -55.43 -28.32 53.55 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 126.594 1.958 . . . . 0.0 115.285 -175.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -56.35 -31.44 63.77 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.948 1.299 . . . . 0.0 113.027 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -91.41 5.62 48.65 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.712 1.605 . . . . 0.0 113.601 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -71.07 -34.16 70.92 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.423 -1.423 . . . . 0.0 113.408 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -15.58 62.72 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.421 1.088 . . . . 0.0 113.638 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.74 101.47 0.64 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 120.854 -1.154 . . . . 0.0 110.769 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 pt -56.32 -23.46 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.926 0.89 . . . . 0.0 112.787 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 p -55.94 -23.82 34.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.262 1.825 . . . . 0.0 114.49 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -52.06 48.64 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.313 0.961 . . . . 0.0 110.887 175.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -95.07 -1.1 52.85 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' CH2' HD13 ' A' ' 17' ' ' LEU . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -52.27 -38.34 58.0 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.579 1.552 . . . . 0.0 114.115 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -52.37 -31.3 33.14 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 127.616 2.366 . . . . 0.0 114.506 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -116.59 11.68 14.82 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 113.549 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -67.54 -34.4 77.02 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.942 -1.099 . . . . 0.0 113.242 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -13.47 62.04 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.519 1.127 . . . . 0.0 113.819 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.7 94.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.937 -1.102 . . . . 0.0 109.664 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.7 pt -54.76 -23.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.446 1.098 . . . . 0.0 112.672 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -26.04 29.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 114.26 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -65.19 -52.43 54.93 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.408 1.004 . . . . 0.0 111.16 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -95.0 -0.69 53.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -34.65 18.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 126.632 1.973 . . . . 0.0 114.586 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -58.32 -25.54 62.03 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.979 1.712 . . . . 0.0 114.213 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -102.65 10.8 38.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.913 2.085 . . . . 0.0 112.475 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -69.11 -37.22 78.26 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.376 -1.453 . . . . 0.0 113.052 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -10.69 60.07 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.234 1.413 . . . . 0.0 113.805 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.31 90.55 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.731 -1.231 . . . . 0.0 110.276 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -55.63 -26.23 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.355 1.062 . . . . 0.0 112.752 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -53.6 -27.95 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.103 1.761 . . . . 0.0 114.256 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -64.9 -48.82 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.233 -0.917 . . . . 0.0 112.32 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -94.97 -0.98 53.37 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CH2' HD13 ' A' ' 17' ' ' LEU . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.417 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -58.93 -31.47 68.69 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.701 1.2 . . . . 0.0 113.722 -174.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -55.47 -24.0 28.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.494 1.918 . . . . 0.0 114.803 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 0.4 23.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.838 1.655 . . . . 0.0 112.641 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.78 -33.43 72.38 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.385 1.074 . . . . 0.0 112.937 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.25 17.25 2.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.3 1.44 . . . . 0.0 114.219 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.84 -16.71 2.82 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.2 pt -49.95 -25.12 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.442 1.897 . . . . 0.0 113.565 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.6 p -62.35 -36.02 80.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.344 1.058 . . . . 0.0 111.976 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.92 -27.95 39.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.587 1.155 . . . . 0.0 111.885 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.39 -32.54 70.25 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.292 0.951 . . . . 0.0 111.957 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -58.9 -40.36 84.23 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.777 -1.827 . . . . 0.0 113.777 -174.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -63.86 -42.41 97.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.302 1.441 . . . . 0.0 112.695 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.48 1.52 53.23 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.585 1.554 . . . . 0.0 113.68 -175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -61.12 -12.91 14.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.69 1.596 . . . . 0.0 114.91 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 0.82 5.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.387 1.875 . . . . 0.0 114.51 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 97.13 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.358 1.863 . . . . 0.0 113.821 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -60.24 -20.95 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.789 1.236 . . . . 0.0 113.304 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.282 1.033 . . . . 0.0 111.91 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -30.46 32.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.246 1.019 . . . . 0.0 112.283 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -59.75 -30.42 68.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.505 0.722 . . . . 0.0 112.712 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.559 -0.734 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -43.89 -33.25 1.3 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 127.615 2.366 . . . . 0.0 115.954 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -52.95 -26.69 15.91 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.854 1.662 . . . . 0.0 114.191 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.64 -36.42 82.52 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.209 0.913 . . . . 0.0 112.24 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.71 -9.41 58.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.211 1.004 . . . . 0.0 113.136 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.94 12.33 15.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.401 1.88 . . . . 0.0 113.78 175.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.32 93.53 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.718 1.607 . . . . 0.0 113.109 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -57.68 -21.86 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.299 1.439 . . . . 0.0 113.344 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -56.96 -36.29 70.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.726 1.211 . . . . 0.0 111.597 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.59 -31.13 36.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.351 -0.843 . . . . 0.0 112.132 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -58.33 -31.69 67.8 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.526 -0.734 . . . . 0.0 112.822 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -59.17 -30.24 68.03 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.548 1.139 . . . . 0.0 113.65 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.56 -22.32 61.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.597 1.559 . . . . 0.0 113.54 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.35 -1.08 42.48 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.431 1.492 . . . . 0.0 113.167 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.14 -26.53 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.64 -1.287 . . . . 0.0 113.941 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.51 24.6 3.4 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.894 1.678 . . . . 0.0 113.299 176.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -56.26 88.78 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.073 2.149 . . . . 0.0 115.039 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 pt -55.15 -20.65 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.908 1.283 . . . . 0.0 114.076 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -59.26 -30.62 68.42 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.159 1.384 . . . . 0.0 112.068 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -85.99 -29.07 23.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.063 1.345 . . . . 0.0 111.426 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -62.45 -29.48 70.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.478 -0.763 . . . . 0.0 112.0 174.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.406 ' H ' HD12 ' A' ' 19' ' ' ILE . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.717 -0.658 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.11 -44.78 94.71 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.086 1.312 . . . . 0.0 114.09 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -58.7 -38.03 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.673 0.789 . . . . 0.0 113.053 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.0 13.29 25.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.536 1.535 . . . . 0.0 112.978 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -63.47 -31.28 72.4 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.541 -1.349 . . . . 0.0 113.204 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.4 14.77 6.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.814 1.646 . . . . 0.0 113.606 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.84 103.56 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.952 1.301 . . . . 0.0 113.653 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -64.8 -10.52 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.135 -0.978 . . . . 0.0 113.504 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -46.76 73.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.704 1.602 . . . . 0.0 112.638 174.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.81 -27.7 58.02 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.005 0.82 . . . . 0.0 112.31 175.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -61.17 -30.65 70.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.074 0.852 . . . . 0.0 112.326 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' PHE . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -60.31 -33.02 71.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.584 1.554 . . . . 0.0 114.483 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -58.91 -30.15 67.6 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.349 1.06 . . . . 0.0 113.577 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -100.15 9.88 42.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.057 1.743 . . . . 0.0 113.544 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -69.53 -46.45 66.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.548 -1.345 . . . . 0.0 113.278 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -11.01 60.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.142 1.377 . . . . 0.0 113.704 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.13 91.87 0.37 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.647 1.179 . . . . 0.0 110.552 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -58.29 -12.66 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.016 1.326 . . . . 0.0 113.419 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -43.41 71.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.914 2.086 . . . . 0.0 112.005 174.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -76.84 -31.17 56.69 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.994 0.518 . . . . 0.0 112.182 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -59.35 -31.06 68.85 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.442 0.697 . . . . 0.0 112.721 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.6 tptt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -51.91 -26.6 10.65 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.833 1.653 . . . . 0.0 114.596 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -53.7 -36.58 62.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.922 1.289 . . . . 0.0 112.292 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.13 1.6 52.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.349 1.46 . . . . 0.0 113.773 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -69.89 -36.53 75.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.448 -1.407 . . . . 0.0 112.753 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.65 16.12 3.42 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.455 1.502 . . . . 0.0 113.732 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.18 95.56 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.282 1.833 . . . . 0.0 113.251 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -58.01 -20.88 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.135 1.374 . . . . 0.0 113.667 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -56.72 -33.75 66.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.638 1.175 . . . . 0.0 112.152 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.78 -30.29 24.74 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.718 0.807 . . . . 0.0 111.817 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -58.28 -31.73 67.75 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.077 -1.015 . . . . 0.0 112.224 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -58.22 -32.39 68.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.004 -1.685 . . . . 0.0 113.581 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -55.16 -27.57 46.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.993 2.117 . . . . 0.0 113.833 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -111.62 7.27 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.253 1.821 . . . . 0.0 112.875 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.61 -21.21 41.76 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.19 21.23 5.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.005 1.722 . . . . 0.0 112.835 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -66.14 80.96 0.08 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.18 2.192 . . . . 0.0 114.096 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -53.8 -24.06 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.767 1.227 . . . . 0.0 113.756 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -56.11 -37.03 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.391 1.476 . . . . 0.0 111.762 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.34 -28.43 29.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.177 0.991 . . . . 0.0 112.201 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -59.96 -30.87 69.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -53.92 -28.02 34.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.609 -1.932 . . . . 0.0 115.695 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -69.09 -20.59 64.08 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -97.89 9.97 41.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.762 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -64.52 -21.18 66.61 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.407 -1.433 . . . . 0.0 114.065 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -14.67 60.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.516 1.126 . . . . 0.0 113.556 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.27 105.22 1.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.783 -1.198 . . . . 0.0 110.594 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 pt -57.16 -17.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.591 1.156 . . . . 0.0 113.277 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 p -59.34 -38.41 80.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.272 1.429 . . . . 0.0 111.682 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -73.71 -32.54 63.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.669 0.788 . . . . 0.0 111.443 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -61.72 -30.55 70.84 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.706 0.803 . . . . 0.0 113.075 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 mttt . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.11 -29.48 67.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 119.522 -1.986 . . . . 0.0 114.556 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -38.53 71.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.611 1.165 . . . . 0.0 112.747 175.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -100.06 -6.66 26.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.064 1.745 . . . . 0.0 113.369 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -64.22 -36.32 83.68 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.812 -1.18 . . . . 0.0 113.079 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.37 13.88 10.78 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.317 1.447 . . . . 0.0 114.049 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.06 97.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.625 1.17 . . . . 0.0 112.441 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 pt -56.97 -19.32 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 113.591 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.9 p -60.64 -34.61 74.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.227 1.411 . . . . 0.0 111.579 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -81.28 -31.16 33.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.27 1.028 . . . . 0.0 111.55 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.74 -30.95 67.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 112.412 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -50.21 -39.17 43.54 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.729 2.012 . . . . 0.0 113.939 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -52.13 -40.55 61.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.48 1.912 . . . . 0.0 113.238 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.86 5.77 49.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.801 1.64 . . . . 0.0 112.98 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.37 -21.41 49.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.492 1.117 . . . . 0.0 113.73 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.06 21.2 11.08 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.611 1.964 . . . . 0.0 112.938 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -59.49 93.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.855 2.062 . . . . 0.0 113.626 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 pt -55.59 -21.58 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.454 1.102 . . . . 0.0 113.875 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -59.51 -34.09 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.107 1.763 . . . . 0.0 111.307 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.8 -33.46 27.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.483 1.113 . . . . 0.0 111.395 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -56.47 -30.58 63.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.776 0.831 . . . . 0.0 112.988 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.6 mttm . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.835 0.35 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -54.26 -28.92 44.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.71 2.004 . . . . 0.0 114.029 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -40.02 63.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.501 1.52 . . . . 0.0 112.285 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.83 -35.11 74.51 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.663 1.185 . . . . 0.0 112.229 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.31 -36.31 71.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.905 -1.122 . . . . 0.0 111.846 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.57 9.22 14.2 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.099 1.76 . . . . 0.0 114.434 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.73 100.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 112.525 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -56.42 -20.94 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.422 1.489 . . . . 0.0 113.084 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -35.23 72.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.046 1.738 . . . . 0.0 111.653 174.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.63 -30.13 27.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.256 0.622 . . . . 0.0 112.074 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -57.76 -30.56 65.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.932 0.787 . . . . 0.0 112.609 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CH2' HD13 ' A' ' 17' ' ' LEU . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 . . . . . 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CH2' HD13 ' A' ' 17' ' ' LEU . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HD13 ' A' ' 17' ' ' LEU . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.415 ' CH2' HD13 ' A' ' 17' ' ' LEU . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CH2' HD13 ' A' ' 17' ' ' LEU . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 111.957 0.355 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 . . . . . 0 N--CA 1.469 0.509 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' PHE . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 112.721 0.638 . . . . 0.0 112.721 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 . . . . . 0 N--CA 1.467 0.402 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 . . . . . 0 N--CA 1.47 0.532 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 . . . . . 0 N--CA 1.469 0.492 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.0 mttt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -55.62 -31.94 62.7 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 125.833 1.653 . . . . 0.0 114.532 -177.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -64.25 -29.46 70.55 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -88.75 -0.8 57.67 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 124.521 1.128 . . . . 0.0 112.912 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -61.69 -22.03 64.96 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.763 -1.211 . . . . 0.0 114.11 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.73 -15.16 63.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.812 1.245 . . . . 0.0 113.195 175.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.4 94.78 0.57 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 120.804 -1.185 . . . . 0.0 109.196 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.6 pt -55.23 -25.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.111 0.964 . . . . 0.0 112.255 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -54.69 -25.15 25.4 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.983 2.513 . . . . 0.0 114.29 174.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -68.42 -50.55 51.94 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.24 0.927 . . . . 0.0 111.905 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -95.04 0.19 54.28 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 9' ' ' THR . 3.7 mt -55.58 -28.3 54.26 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.468 1.507 . . . . 0.0 112.829 176.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.434 ' CH2' HD13 ' A' ' 17' ' ' LEU . 59.9 t90 -62.15 -45.6 92.69 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 122.914 0.486 . . . . 0.0 111.929 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -63.52 -30.73 71.8 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.536 0.734 . . . . 0.0 111.741 175.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.8 mm -70.79 -47.1 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.629 0.771 . . . . 0.0 111.016 175.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tmtm? -62.85 -45.16 93.89 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.392 -0.818 . . . . 0.0 110.674 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.434 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.5 tt -63.2 -29.56 70.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.558 1.143 . . . . 0.0 113.192 175.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.7 t80 -51.99 -38.96 58.59 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.481 1.491 . . . . 0.0 112.067 175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -71.2 -31.82 45.47 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.935 0 CA-C-N 119.262 0.937 . . . . 0.0 112.086 174.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.0 mmm -71.97 -46.72 56.36 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.651 -1.281 . . . . 0.0 112.14 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.3 tt -64.32 -42.41 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.323 1.049 . . . . 0.0 112.412 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -70.87 -35.46 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.29 -93.21 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.449 1.976 . . . . 0.0 113.162 -168.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.8 -25.67 73.31 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.375 0.988 . . . . 0.0 114.901 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mt -78.53 1.69 21.61 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.341 1.571 . . . . 0.0 113.314 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 p -51.76 -35.89 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 126.347 1.859 . . . . 0.0 114.487 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.7 mttt -66.86 -22.71 65.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.975 1.31 . . . . 0.0 114.5 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.484 2.314 . . . . 0.0 112.533 -163.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -57.5 -30.24 64.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 119.746 -1.846 . . . . 0.0 114.187 -177.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -60.02 -26.79 66.36 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.563 1.545 . . . . 0.0 113.902 174.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -91.18 1.5 57.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.555 1.142 . . . . 0.0 113.836 176.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -66.7 -34.55 78.09 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.689 -1.257 . . . . 0.0 112.715 175.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.11 -10.24 59.26 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.165 1.386 . . . . 0.0 114.161 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -70.78 90.23 0.78 Allowed 'General case' 0 N--CA 1.471 0.604 0 O-C-N 120.798 -1.189 . . . . 0.0 110.838 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.6 pt -55.29 -24.05 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 124.712 1.205 . . . . 0.0 113.18 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -56.82 -22.63 37.86 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.296 1.439 . . . . 0.0 114.201 176.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.71 -51.16 59.15 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 119.037 0.835 . . . . 0.0 110.918 175.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -95.03 -1.44 52.29 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.3 mt -54.97 -27.73 46.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.88 1.272 . . . . 0.0 112.885 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.9 t90 -61.78 -47.1 86.7 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 123.061 0.544 . . . . 0.0 112.142 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.32 -31.25 72.35 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.68 0.792 . . . . 0.0 111.726 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.2 mm -69.5 -47.02 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.079 0.552 . . . . 0.0 110.829 175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -63.68 -43.35 96.93 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.347 0.976 . . . . 0.0 111.448 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.15 -29.36 70.73 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.195 0.998 . . . . 0.0 113.09 175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -51.94 -42.87 63.17 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.467 1.485 . . . . 0.0 111.414 175.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.24 -33.55 61.28 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 C-N-CA 123.746 0.818 . . . . 0.0 112.058 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 68.4 mmm -68.98 -48.12 63.92 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.7 -1.25 . . . . 0.0 112.247 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.4 tt -67.21 -38.5 81.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.026 0.93 . . . . 0.0 112.713 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -71.66 -35.22 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 175.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -94.3 0.01 OUTLIER Glycine 0 CA--C 1.533 1.212 0 C-N-CA 126.466 1.984 . . . . 0.0 113.113 -165.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.76 -25.95 74.87 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.554 1.074 . . . . 0.0 115.04 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mt -78.95 0.94 25.46 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.434 1.617 . . . . 0.0 113.506 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 p -49.99 -32.49 8.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.194 1.798 . . . . 0.0 114.199 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -65.59 -20.31 66.27 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.021 1.728 . . . . 0.0 114.178 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.386 2.274 . . . . 0.0 111.704 -174.525 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -60.78 -25.12 66.31 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 119.866 -1.771 . . . . 0.0 114.388 -170.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -55.12 -29.79 58.42 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.144 1.778 . . . . 0.0 113.066 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -65.16 -37.25 86.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.775 0.83 . . . . 0.0 112.5 175.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.94 -25.85 65.67 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.222 -0.924 . . . . 0.0 112.774 175.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.99 -13.6 61.26 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.393 1.477 . . . . 0.0 113.198 174.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -66.08 102.01 0.76 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.983 -1.073 . . . . 0.0 110.447 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.8 pt -58.37 -22.56 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.586 0.754 . . . . 0.0 112.79 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.6 p -57.34 -24.51 55.58 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 126.109 1.764 . . . . 0.0 114.265 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -65.22 -52.79 52.37 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 119.222 0.919 . . . . 0.0 111.147 175.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -95.03 -0.34 53.81 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 115.099 1.518 . . . . 0.0 115.099 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.28 -27.79 49.09 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.051 1.341 . . . . 0.0 112.884 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.413 ' CH2' HD13 ' A' ' 17' ' ' LEU . 56.0 t90 -61.86 -46.75 88.06 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 122.978 0.511 . . . . 0.0 112.065 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -63.01 -31.19 72.27 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.582 0.753 . . . . 0.0 111.645 175.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.4 mm -70.12 -47.27 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.3 0.64 . . . . 0.0 110.849 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -43.87 97.64 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.323 0.965 . . . . 0.0 111.387 175.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.66 -29.86 71.04 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.577 1.151 . . . . 0.0 113.212 176.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.41 -42.3 61.36 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.189 1.359 . . . . 0.0 111.62 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.404 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -68.37 -33.29 59.54 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 CA-C-N 119.198 0.908 . . . . 0.0 112.251 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.8 mmm -69.4 -48.59 60.63 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.709 -1.245 . . . . 0.0 112.049 178.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.9 tt -66.42 -39.15 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.112 0.965 . . . . 0.0 112.546 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.49 -35.14 55.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.88 -93.29 0.01 OUTLIER Glycine 0 CA--C 1.534 1.269 0 C-N-CA 126.479 1.99 . . . . 0.0 113.143 -167.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.34 -25.5 72.76 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.439 1.019 . . . . 0.0 115.006 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mt -78.22 0.3 25.69 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.401 1.6 . . . . 0.0 113.393 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.48 -33.71 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 C-N-CA 126.518 1.927 . . . . 0.0 114.289 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.6 mttt -58.76 -28.15 65.63 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.309 1.444 . . . . 0.0 114.164 177.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.921 2.488 . . . . 0.0 115.205 -174.4 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.1 tttt . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.2 tptm -60.52 -33.91 73.33 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 119.906 -1.746 . . . . 0.0 114.182 -166.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -59.88 -31.87 70.2 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 126.316 1.847 . . . . 0.0 113.223 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -91.36 -3.18 57.01 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.233 1.413 . . . . 0.0 113.067 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -64.08 -25.59 68.17 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.429 1.091 . . . . 0.0 113.495 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -9.07 57.55 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.655 1.582 . . . . 0.0 113.52 175.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -70.92 87.12 0.72 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.844 -1.16 . . . . 0.0 110.666 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.3 pt -55.87 -25.17 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.431 1.092 . . . . 0.0 112.913 -177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -55.54 -27.1 46.87 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.551 1.54 . . . . 0.0 114.223 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.96 -49.8 68.89 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.329 -0.857 . . . . 0.0 112.123 175.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -95.01 -0.87 53.39 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -55.58 -27.25 48.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.026 1.33 . . . . 0.0 112.953 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -62.0 -46.44 89.2 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.245 0.618 . . . . 0.0 112.19 178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.68 -31.05 72.1 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.492 0.717 . . . . 0.0 111.856 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.9 mm -69.77 -47.95 67.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.218 0.607 . . . . 0.0 110.548 175.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -61.88 -44.33 97.02 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.38 -0.825 . . . . 0.0 111.44 174.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.04 -29.41 70.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.449 1.1 . . . . 0.0 113.223 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -51.88 -43.56 63.35 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.534 1.516 . . . . 0.0 111.33 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.412 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -67.03 -33.88 66.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 123.84 0.856 . . . . 0.0 112.172 175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 63.1 mmm -69.49 -47.51 63.67 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.613 -1.305 . . . . 0.0 112.324 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.76 -38.09 79.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.83 0.852 . . . . 0.0 112.737 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.5 m -71.67 -36.07 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 175.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.95 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.535 1.286 0 C-N-CA 126.433 1.968 . . . . 0.0 113.048 -166.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.2 -27.11 73.32 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.472 1.034 . . . . 0.0 114.927 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -79.65 6.9 9.49 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.152 1.476 . . . . 0.0 113.243 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.9 p -55.45 -38.28 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 125.068 1.347 . . . . 0.0 113.315 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -64.9 -53.88 39.52 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.159 1.384 . . . . 0.0 112.35 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 127.057 2.143 . . . . 0.0 112.484 -175.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -61.71 -30.85 71.03 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.383 1.902 . . . . 0.0 114.218 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.83 -35.41 68.77 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.547 1.539 . . . . 0.0 113.29 176.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -93.44 12.67 24.18 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.385 1.474 . . . . 0.0 113.717 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 30.0 t-105 -79.43 -36.15 39.43 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.074 -1.016 . . . . 0.0 113.196 175.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -15.08 63.39 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.6 1.16 . . . . 0.0 113.523 177.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.31 95.69 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.818 1.247 . . . . 0.0 110.718 175.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.0 pt -57.26 -25.54 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 123.788 0.835 . . . . 0.0 112.276 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.503 ' HA ' HD12 ' A' ' 12' ' ' LEU . 10.0 p -54.79 -24.38 22.41 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 126.789 2.036 . . . . 0.0 114.438 175.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -68.14 -53.73 23.11 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.361 0.982 . . . . 0.0 111.372 175.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -93.4 0.29 56.79 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.974 1.31 . . . . 0.0 114.519 -178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 9' ' ' THR . 4.5 mt -54.9 -28.62 51.97 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.626 1.571 . . . . 0.0 112.904 174.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HD13 ' A' ' 17' ' ' LEU . 55.3 t90 -61.9 -46.21 90.39 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 122.771 0.428 . . . . 0.0 111.824 178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -63.04 -30.34 71.52 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 111.537 175.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 mm -69.77 -48.27 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 123.687 0.795 . . . . 0.0 110.88 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 mttt -66.03 -39.5 90.24 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.412 1.005 . . . . 0.0 111.988 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.446 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -65.31 -30.43 71.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 118.605 -0.712 . . . . 0.0 112.089 175.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' O ' HG22 ' A' ' 22' ' ' VAL . 18.5 t80 -52.59 -38.92 61.0 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 120.083 1.311 . . . . 0.0 112.212 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.96 -31.47 45.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.029 0 CA-C-N 119.557 1.071 . . . . 0.0 112.001 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.3 mmm -72.79 -46.6 52.44 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.748 -1.22 . . . . 0.0 112.269 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -63.43 -43.1 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.423 1.089 . . . . 0.0 112.413 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.9 m -70.58 -35.8 62.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 123.888 0.875 . . . . 0.0 113.274 177.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 50.13 -92.63 0.01 OUTLIER Glycine 0 CA--C 1.534 1.225 0 C-N-CA 126.436 1.969 . . . . 0.0 113.184 -169.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.42 -25.62 69.99 Favored Glycine 0 CA--C 1.536 1.393 0 C-N-CA 124.395 0.998 . . . . 0.0 114.677 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mt -78.58 1.18 23.48 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.219 1.509 . . . . 0.0 113.236 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -51.28 -36.21 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 126.189 1.796 . . . . 0.0 113.897 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mtpm? -66.57 -18.31 65.3 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.502 1.521 . . . . 0.0 114.157 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.605 2.362 . . . . 0.0 113.174 -170.485 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? . . . . . 0 N--CA 1.497 1.913 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -55.43 -28.32 53.55 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 126.594 1.958 . . . . 0.0 115.285 -175.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -56.35 -31.44 63.77 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.948 1.299 . . . . 0.0 113.027 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -91.41 5.62 48.65 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.712 1.605 . . . . 0.0 113.601 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -71.07 -34.16 70.92 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.423 -1.423 . . . . 0.0 113.408 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -15.58 62.72 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.421 1.088 . . . . 0.0 113.638 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.74 101.47 0.64 Allowed 'General case' 0 C--O 1.237 0.439 0 O-C-N 120.854 -1.154 . . . . 0.0 110.769 175.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 pt -56.32 -23.46 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 123.926 0.89 . . . . 0.0 112.787 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.5 p -55.94 -23.82 34.26 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.262 1.825 . . . . 0.0 114.49 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -52.06 48.64 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.313 0.961 . . . . 0.0 110.887 175.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 p-90 -95.07 -1.1 52.85 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.2 mt -55.15 -27.36 44.92 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.971 1.308 . . . . 0.0 113.092 174.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.415 ' CH2' HD13 ' A' ' 17' ' ' LEU . 54.9 t90 -61.54 -46.72 88.71 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.143 -0.348 . . . . 0.0 111.835 178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -63.34 -30.3 71.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.465 0.706 . . . . 0.0 111.666 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.6 mm -70.1 -49.24 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.385 0.674 . . . . 0.0 110.912 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -43.59 98.47 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.836 1.198 . . . . 0.0 110.722 174.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.1 tt -63.02 -30.0 71.26 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.053 0.941 . . . . 0.0 113.254 176.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -52.27 -38.45 58.3 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.348 1.431 . . . . 0.0 111.898 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.1 -32.16 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.914 0 CA-C-N 119.392 0.996 . . . . 0.0 112.003 174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.9 mmm -71.32 -47.2 58.12 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.603 -1.311 . . . . 0.0 112.417 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.32 -41.88 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.4 1.08 . . . . 0.0 112.417 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.89 -35.26 59.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.436 1.969 . . . . 0.0 113.088 -167.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -26.12 72.05 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.487 1.041 . . . . 0.0 115.013 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.45 0.61 25.19 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.358 1.579 . . . . 0.0 113.425 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 p -50.33 -31.29 8.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 126.415 1.886 . . . . 0.0 113.934 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -59.73 -21.45 60.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.688 1.595 . . . . 0.0 114.828 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt . . . . . 0 C--O 1.254 1.3 0 C-N-CA 127.461 2.304 . . . . 0.0 113.44 178.187 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -52.27 -38.34 58.0 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 125.579 1.552 . . . . 0.0 114.115 -176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -52.37 -31.3 33.14 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 127.616 2.366 . . . . 0.0 114.506 177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -116.59 11.68 14.82 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 113.549 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -67.54 -34.4 77.02 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.942 -1.099 . . . . 0.0 113.242 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.88 -13.47 62.04 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.519 1.127 . . . . 0.0 113.819 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -70.7 94.67 1.04 Allowed 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.937 -1.102 . . . . 0.0 109.664 175.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.7 pt -54.76 -23.57 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.446 1.098 . . . . 0.0 112.672 -177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.57 -26.04 29.78 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 127.065 2.146 . . . . 0.0 114.26 174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -65.19 -52.43 54.93 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 119.408 1.004 . . . . 0.0 111.16 174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -95.0 -0.69 53.57 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.95 -28.26 49.92 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.317 1.447 . . . . 0.0 112.853 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 59.0 t90 -62.37 -45.89 91.14 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.155 0.582 . . . . 0.0 112.007 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -64.11 -30.94 71.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.47 0.708 . . . . 0.0 111.803 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.4 mm -70.11 -47.12 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.333 0.653 . . . . 0.0 110.752 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -64.34 -41.44 96.78 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.305 -0.872 . . . . 0.0 111.73 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.07 -29.01 69.27 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.147 0.979 . . . . 0.0 112.621 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -51.98 -40.26 60.66 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.399 1.454 . . . . 0.0 111.873 175.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -70.29 -32.55 50.94 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 CA-C-N 119.388 0.995 . . . . 0.0 111.944 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 70.8 mmm -69.8 -48.35 59.46 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.691 -1.256 . . . . 0.0 112.17 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -64.63 -40.93 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 124.375 1.07 . . . . 0.0 112.497 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.51 -35.16 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 176.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.27 -93.25 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 126.404 1.954 . . . . 0.0 113.105 -166.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.45 -25.96 73.01 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 124.609 1.099 . . . . 0.0 115.201 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.4 1.45 22.0 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.472 1.636 . . . . 0.0 113.575 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -51.72 -29.12 10.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 126.64 1.976 . . . . 0.0 114.348 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -59.12 -18.53 36.53 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.66 1.584 . . . . 0.0 115.001 176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 126.952 2.101 . . . . 0.0 112.914 176.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt . . . . . 0 N--CA 1.495 1.786 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.6 -34.65 18.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 126.632 1.973 . . . . 0.0 114.586 -179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -58.32 -25.54 62.03 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 125.979 1.712 . . . . 0.0 114.213 174.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -102.65 10.8 38.45 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.913 2.085 . . . . 0.0 112.475 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -69.11 -37.22 78.26 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.376 -1.453 . . . . 0.0 113.052 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.95 -10.69 60.07 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.234 1.413 . . . . 0.0 113.805 175.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.31 90.55 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.731 -1.231 . . . . 0.0 110.276 176.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.3 pt -55.63 -26.23 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.355 1.062 . . . . 0.0 112.752 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -53.6 -27.95 29.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.103 1.761 . . . . 0.0 114.256 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -64.9 -48.82 72.82 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.233 -0.917 . . . . 0.0 112.32 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.0 p-90 -94.97 -0.98 53.37 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mt -56.11 -27.29 53.25 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.873 1.269 . . . . 0.0 112.943 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' CH2' HD13 ' A' ' 17' ' ' LEU . 58.3 t90 -61.84 -46.88 87.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.134 0.574 . . . . 0.0 112.068 179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -62.85 -31.42 72.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.581 0.753 . . . . 0.0 111.807 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.1 mm -70.36 -46.83 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.322 0.649 . . . . 0.0 111.037 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -42.31 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.253 0.933 . . . . 0.0 111.448 174.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD13 ' CH2' ' A' ' 13' ' ' TRP . 3.2 tt -62.94 -30.02 71.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.207 1.003 . . . . 0.0 113.134 175.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -50.63 -44.38 57.3 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 120.443 1.474 . . . . 0.0 111.607 175.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.4 mp -66.06 -34.53 70.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 124.052 0.941 . . . . 0.0 112.218 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mmm -68.67 -47.47 66.4 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 120.818 -1.176 . . . . 0.0 112.03 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 12.6 tt -68.39 -38.26 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.958 0.903 . . . . 0.0 112.712 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.8 m -71.21 -34.83 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.82 -93.98 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.44 1.971 . . . . 0.0 112.992 -167.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.56 75.7 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 124.546 1.07 . . . . 0.0 115.155 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mt -78.59 0.04 27.89 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.534 1.667 . . . . 0.0 113.371 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -50.25 -30.1 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.815 2.046 . . . . 0.0 115.109 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -55.88 -35.14 66.18 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.043 1.737 . . . . 0.0 113.62 175.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.479 1.912 . . . . 0.0 112.814 -176.57 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -58.93 -31.47 68.69 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 124.701 1.2 . . . . 0.0 113.722 -174.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -55.47 -24.0 28.7 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.494 1.918 . . . . 0.0 114.803 175.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.87 0.4 23.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.838 1.655 . . . . 0.0 112.641 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -69.78 -33.43 72.38 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.385 1.074 . . . . 0.0 112.937 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.25 17.25 2.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.3 1.44 . . . . 0.0 114.219 176.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -54.84 -16.71 2.82 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.2 pt -49.95 -25.12 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 126.442 1.897 . . . . 0.0 113.565 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 64.6 p -62.35 -36.02 80.94 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.344 1.058 . . . . 0.0 111.976 174.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -79.92 -27.95 39.82 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.587 1.155 . . . . 0.0 111.885 174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -59.39 -32.54 70.25 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.292 0.951 . . . . 0.0 111.957 174.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.4 mt -54.55 -28.92 49.14 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.835 1.254 . . . . 0.0 112.862 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -63.44 -52.34 61.89 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.905 0.882 . . . . 0.0 112.117 176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -62.52 -35.32 79.04 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.305 0.642 . . . . 0.0 111.861 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.74 -47.15 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 122.114 -0.366 . . . . 0.0 110.908 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 tttm -63.06 -43.95 97.16 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.335 -0.853 . . . . 0.0 111.778 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.04 -30.29 70.87 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.452 1.101 . . . . 0.0 113.077 175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -52.92 -39.13 62.55 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.998 1.272 . . . . 0.0 111.554 175.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.15 -32.21 42.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-N 119.353 0.978 . . . . 0.0 111.937 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.4 mmm -69.52 -48.62 59.93 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 120.628 -1.295 . . . . 0.0 112.176 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.6 tt -64.75 -40.7 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.385 1.074 . . . . 0.0 112.568 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.1 m -71.46 -34.78 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.62 -95.01 0.01 OUTLIER Glycine 0 CA--C 1.532 1.134 0 C-N-CA 126.459 1.981 . . . . 0.0 113.088 -166.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.87 -26.03 74.86 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 124.57 1.081 . . . . 0.0 115.058 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 mt -79.46 1.48 25.4 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-N 119.372 1.586 . . . . 0.0 113.571 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -50.08 -30.24 6.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.835 1.654 . . . . 0.0 114.286 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -65.33 -15.37 62.47 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.994 1.718 . . . . 0.0 114.867 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.198 0 C-N-CA 125.543 1.537 . . . . 0.0 113.916 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -58.9 -40.36 84.23 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 119.777 -1.827 . . . . 0.0 113.777 -174.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -63.86 -42.41 97.56 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.302 1.441 . . . . 0.0 112.695 175.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.48 1.52 53.23 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.585 1.554 . . . . 0.0 113.68 -175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -61.12 -12.91 14.0 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.69 1.596 . . . . 0.0 114.91 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.45 0.82 5.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.387 1.875 . . . . 0.0 114.51 174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.5 97.13 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.358 1.863 . . . . 0.0 113.821 -178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -60.24 -20.95 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.789 1.236 . . . . 0.0 113.304 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -59.63 -33.13 71.12 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.282 1.033 . . . . 0.0 111.91 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -30.46 32.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.246 1.019 . . . . 0.0 112.283 174.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.0 m95 -59.75 -30.42 68.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.505 0.722 . . . . 0.0 112.712 175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.1 mt -54.78 -29.27 53.78 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.564 1.146 . . . . 0.0 112.783 175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -63.48 -51.45 65.53 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.143 0.977 . . . . 0.0 112.264 178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -62.64 -35.27 79.07 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.246 0.618 . . . . 0.0 111.967 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.1 mm -67.9 -47.55 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 O-C-N 122.202 -0.311 . . . . 0.0 110.753 176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.5 tttt -62.2 -45.39 93.57 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 121.303 -0.873 . . . . 0.0 111.823 175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.7 -30.24 70.62 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.48 1.112 . . . . 0.0 112.878 176.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -52.71 -44.65 66.48 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.057 1.298 . . . . 0.0 111.055 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -64.52 -35.95 75.97 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 118.993 0.815 . . . . 0.0 111.747 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 58.3 mmm -67.83 -46.52 71.62 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.828 -1.17 . . . . 0.0 112.332 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.7 tt -69.43 -37.9 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.967 0.907 . . . . 0.0 112.738 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.9 m -71.28 -34.96 55.93 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 119.183 0.902 . . . . 0.0 113.361 175.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.93 -95.02 0.01 OUTLIER Glycine 0 CA--C 1.533 1.211 0 C-N-CA 126.635 2.064 . . . . 0.0 113.118 -167.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.3 -26.61 74.44 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.482 1.039 . . . . 0.0 115.048 178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.9 2.03 21.57 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.326 1.563 . . . . 0.0 113.5 -178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.2 p -53.96 -34.79 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 125.36 1.464 . . . . 0.0 113.963 -178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -73.91 -6.33 46.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.233 1.813 . . . . 0.0 114.405 177.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 66.5 mttt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.734 2.813 . . . . 0.0 113.267 -176.168 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 118.559 -0.734 . . . . 0.0 112.447 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm -43.89 -33.25 1.3 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 127.615 2.366 . . . . 0.0 115.954 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -52.95 -26.69 15.91 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.854 1.662 . . . . 0.0 114.191 175.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -66.64 -36.42 82.52 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.209 0.913 . . . . 0.0 112.24 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.71 -9.41 58.65 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.211 1.004 . . . . 0.0 113.136 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.94 12.33 15.65 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.401 1.88 . . . . 0.0 113.78 175.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -58.32 93.53 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.718 1.607 . . . . 0.0 113.109 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.8 pt -57.68 -21.86 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.299 1.439 . . . . 0.0 113.344 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.2 t -56.96 -36.29 70.11 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.726 1.211 . . . . 0.0 111.597 174.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -80.59 -31.13 36.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.351 -0.843 . . . . 0.0 112.132 174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.3 m95 -58.33 -31.69 67.8 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.526 -0.734 . . . . 0.0 112.822 175.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.8 mt -54.59 -30.97 56.07 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.334 1.054 . . . . 0.0 112.549 175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -62.01 -51.32 68.5 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.001 0.92 . . . . 0.0 112.268 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -62.58 -34.32 76.74 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.231 0.612 . . . . 0.0 112.008 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.28 -49.18 69.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 122.612 0.365 . . . . 0.0 110.692 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -61.69 -42.54 99.08 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.362 -0.836 . . . . 0.0 111.887 175.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.5 -30.54 71.65 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.19 0.996 . . . . 0.0 113.191 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -53.14 -38.15 62.43 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.238 1.381 . . . . 0.0 111.816 174.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -72.91 -32.11 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.946 0 CA-C-N 119.468 1.031 . . . . 0.0 111.886 174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 69.6 mmm -70.45 -47.95 58.23 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.616 -1.303 . . . . 0.0 112.221 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.0 tt -64.03 -41.71 93.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.525 1.13 . . . . 0.0 112.517 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.43 -34.61 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.49 -93.66 0.01 OUTLIER Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.476 1.989 . . . . 0.0 113.172 -166.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.85 -26.77 71.99 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.459 1.028 . . . . 0.0 115.061 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.79 -0.36 26.77 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-N 119.417 1.608 . . . . 0.0 113.358 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 p -49.73 -31.66 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.157 0 C-N-CA 126.284 1.834 . . . . 0.0 113.611 179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.9 tttp -63.71 -18.07 63.64 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.575 1.55 . . . . 0.0 114.405 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt . . . . . 0 N--CA 1.484 1.272 0 C-N-CA 127.984 2.513 . . . . 0.0 113.434 177.27 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 N--CA 1.492 1.666 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -59.17 -30.24 68.03 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.548 1.139 . . . . 0.0 113.65 -176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -59.56 -22.32 61.57 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.597 1.559 . . . . 0.0 113.54 175.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -98.35 -1.08 42.48 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.431 1.492 . . . . 0.0 113.167 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -64.14 -26.53 68.58 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.64 -1.287 . . . . 0.0 113.941 -178.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.51 24.6 3.4 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.894 1.678 . . . . 0.0 113.299 176.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -56.26 88.78 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 127.073 2.149 . . . . 0.0 115.039 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.0 pt -55.15 -20.65 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.908 1.283 . . . . 0.0 114.076 178.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.0 p -59.26 -30.62 68.42 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.159 1.384 . . . . 0.0 112.068 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -85.99 -29.07 23.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.063 1.345 . . . . 0.0 111.426 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -62.45 -29.48 70.55 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.478 -0.763 . . . . 0.0 112.0 174.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -53.97 -29.42 42.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.905 1.282 . . . . 0.0 112.568 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -63.4 -53.38 53.34 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.176 0.99 . . . . 0.0 112.098 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -61.97 -35.77 79.47 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.471 0.709 . . . . 0.0 111.893 176.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 32.9 mm -67.8 -47.56 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.649 0.38 . . . . 0.0 110.637 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -62.42 -44.74 95.71 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.347 -0.846 . . . . 0.0 111.147 175.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.66 -30.44 70.72 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.407 1.083 . . . . 0.0 112.896 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -52.28 -44.1 64.79 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 120.024 1.284 . . . . 0.0 111.279 174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.406 HD12 ' H ' ' A' ' 19' ' ' ILE . 4.2 mp -67.13 -34.64 70.83 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 CA-C-N 118.974 0.807 . . . . 0.0 111.95 175.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.6 mmm -69.19 -45.61 69.5 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.708 -1.245 . . . . 0.0 112.266 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.4 tt -69.52 -37.76 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.045 0.938 . . . . 0.0 112.811 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.8 m -71.98 -35.43 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 46.18 -95.2 0.01 OUTLIER Glycine 0 CA--C 1.534 1.23 0 C-N-CA 126.451 1.977 . . . . 0.0 113.096 -166.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.94 -26.54 74.59 Favored Glycine 0 CA--C 1.538 1.492 0 C-N-CA 124.479 1.037 . . . . 0.0 114.887 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -79.93 4.8 15.66 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.231 1.515 . . . . 0.0 113.329 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.3 p -53.15 -31.12 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 O-C-N 120.606 -1.309 . . . . 0.0 113.965 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -72.26 -24.04 61.3 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.053 1.741 . . . . 0.0 115.081 -177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.207 0 C-N-CA 125.305 1.442 . . . . 0.0 113.873 -171.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.4 tttm . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 118.717 -0.658 . . . . 0.0 110.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -63.11 -44.78 94.71 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-N 120.086 1.312 . . . . 0.0 114.09 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -58.7 -38.03 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.673 0.789 . . . . 0.0 113.053 175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.0 13.29 25.54 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.536 1.535 . . . . 0.0 112.978 179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 74.1 t-105 -63.47 -31.28 72.4 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.541 -1.349 . . . . 0.0 113.204 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -86.4 14.77 6.16 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.814 1.646 . . . . 0.0 113.606 178.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -56.84 103.56 0.12 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.952 1.301 . . . . 0.0 113.653 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -64.8 -10.52 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 O-C-N 121.135 -0.978 . . . . 0.0 113.504 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -54.44 -46.76 73.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.704 1.602 . . . . 0.0 112.638 174.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -75.81 -27.7 58.02 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.005 0.82 . . . . 0.0 112.31 175.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 35.8 m95 -61.17 -30.65 70.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.074 0.852 . . . . 0.0 112.326 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.9 mt -54.55 -29.84 52.15 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.902 0.881 . . . . 0.0 112.368 175.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 66.1 t90 -61.79 -53.33 57.43 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.499 0.719 . . . . 0.0 112.187 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -61.71 -34.96 76.71 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.492 0.717 . . . . 0.0 111.876 176.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.37 -48.79 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.946 0.498 . . . . 0.0 110.573 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -61.99 -43.87 97.94 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 119.296 0.953 . . . . 0.0 110.975 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.22 -31.1 71.6 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.23 1.012 . . . . 0.0 113.074 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.413 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.5 t80 -52.52 -38.32 59.42 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.022 1.283 . . . . 0.0 111.708 175.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.91 -31.3 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.959 0 CA-C-N 119.447 1.022 . . . . 0.0 112.01 175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.8 mmm -72.14 -47.34 51.73 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 120.498 -1.376 . . . . 0.0 112.143 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 tt -63.88 -41.81 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 124.462 1.105 . . . . 0.0 112.432 178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 18' ' ' PHE . 31.6 m -70.94 -36.28 63.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.016 0.926 . . . . 0.0 113.307 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.64 -93.97 0.01 OUTLIER Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.391 1.948 . . . . 0.0 113.077 -168.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.89 -25.9 73.83 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 124.408 1.004 . . . . 0.0 114.729 177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.76 2.7 18.87 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.142 1.471 . . . . 0.0 113.024 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -50.81 -34.93 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 124.965 1.306 . . . . 0.0 113.864 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -66.78 -28.53 68.46 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 115.06 1.504 . . . . 0.0 115.06 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.255 0 CA-C-O 117.128 -1.415 . . . . 0.0 114.369 -170.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -60.31 -33.02 71.78 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.584 1.554 . . . . 0.0 114.483 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -58.91 -30.15 67.6 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.349 1.06 . . . . 0.0 113.577 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -100.15 9.88 42.12 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.057 1.743 . . . . 0.0 113.544 177.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -69.53 -46.45 66.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.548 -1.345 . . . . 0.0 113.278 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -11.01 60.58 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.142 1.377 . . . . 0.0 113.704 178.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.13 91.87 0.37 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.647 1.179 . . . . 0.0 110.552 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.7 pt -58.29 -12.66 2.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.016 1.326 . . . . 0.0 113.419 179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -43.41 71.03 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.914 2.086 . . . . 0.0 112.005 174.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -76.84 -31.17 56.69 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 122.994 0.518 . . . . 0.0 112.182 174.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 -59.35 -31.06 68.85 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.442 0.697 . . . . 0.0 112.721 174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.1 mt -54.47 -31.57 55.94 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.115 0.966 . . . . 0.0 112.411 175.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -60.44 -52.41 65.32 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 123.866 0.867 . . . . 0.0 112.337 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -62.43 -34.55 77.0 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.367 0.667 . . . . 0.0 112.021 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.8 mm -69.07 -47.05 77.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 122.977 0.511 . . . . 0.0 110.49 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -63.0 -43.78 97.82 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.318 -0.864 . . . . 0.0 111.191 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -62.33 -31.16 71.74 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 124.655 1.182 . . . . 0.0 113.178 175.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -52.68 -38.87 61.29 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.016 1.28 . . . . 0.0 111.741 175.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.0 mp -72.04 -32.6 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 119.5 1.046 . . . . 0.0 111.877 175.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 61.5 mmm -71.11 -46.47 61.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.583 -1.323 . . . . 0.0 112.172 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.95 -41.75 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.456 1.102 . . . . 0.0 112.55 178.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.32 -34.84 55.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.12 -93.55 0.01 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 126.357 1.932 . . . . 0.0 113.157 -167.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.07 73.63 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.523 1.059 . . . . 0.0 115.038 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 mt -78.38 -0.04 27.53 Favored 'General case' 0 N--CA 1.479 1.025 0 CA-C-N 119.441 1.621 . . . . 0.0 113.385 -178.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.8 p -50.21 -31.02 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 126.714 2.006 . . . . 0.0 114.685 -177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -61.81 -22.53 65.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.126 1.77 . . . . 0.0 114.906 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt . . . . . 0 C--O 1.252 1.184 0 C-N-CA 126.258 1.823 . . . . 0.0 113.041 -171.613 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.6 tptt . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 119.663 -0.208 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -51.91 -26.6 10.65 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 125.833 1.653 . . . . 0.0 114.596 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -53.7 -36.58 62.37 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.922 1.289 . . . . 0.0 112.292 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -96.13 1.6 52.53 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.349 1.46 . . . . 0.0 113.773 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -69.89 -36.53 75.5 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 120.448 -1.407 . . . . 0.0 112.753 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.65 16.12 3.42 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.455 1.502 . . . . 0.0 113.732 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -57.18 95.56 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.282 1.833 . . . . 0.0 113.251 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -58.01 -20.88 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 125.135 1.374 . . . . 0.0 113.667 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.3 t -56.72 -33.75 66.81 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.638 1.175 . . . . 0.0 112.152 175.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -84.78 -30.29 24.74 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.718 0.807 . . . . 0.0 111.817 175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.1 m95 -58.28 -31.73 67.75 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.077 -1.015 . . . . 0.0 112.224 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.6 mt -54.48 -30.24 52.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.432 1.093 . . . . 0.0 112.186 175.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -62.59 -52.76 62.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.061 0.944 . . . . 0.0 112.118 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -61.94 -35.17 77.64 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.324 0.649 . . . . 0.0 112.005 176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.7 mm -68.02 -46.23 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 117.969 0.35 . . . . 0.0 111.013 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -65.21 -42.57 93.34 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.346 -0.846 . . . . 0.0 111.538 176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.6 tt -64.69 -29.38 70.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.327 1.451 . . . . 0.0 112.571 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -51.2 -40.36 58.54 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 120.293 1.406 . . . . 0.0 111.593 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.5 mp -69.62 -32.26 51.89 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 123.944 0.898 . . . . 0.0 112.34 175.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 82.4 mtp -72.82 -45.16 59.93 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.575 -1.328 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 8.2 tp -65.65 -41.97 91.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 124.068 0.947 . . . . 0.0 112.377 177.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -70.06 -36.15 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.06 -93.79 0.01 OUTLIER Glycine 0 CA--C 1.533 1.182 0 C-N-CA 126.369 1.938 . . . . 0.0 113.007 -167.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.38 -25.32 74.62 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.467 1.032 . . . . 0.0 114.884 177.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.54 0.63 25.39 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 119.379 1.59 . . . . 0.0 113.309 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.5 p -50.53 -33.89 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 125.716 1.607 . . . . 0.0 113.858 -178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.0 ttmt -73.28 -13.54 61.15 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.436 1.495 . . . . 0.0 114.242 -178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.61 1.964 . . . . 0.0 112.505 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt . . . . . 0 N--CA 1.497 1.914 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -58.22 -32.39 68.26 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.004 -1.685 . . . . 0.0 113.581 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmtm -55.16 -27.57 46.63 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 126.993 2.117 . . . . 0.0 113.833 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -111.62 7.27 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.253 1.821 . . . . 0.0 112.875 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -80.61 -21.21 41.76 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.19 21.23 5.28 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.005 1.722 . . . . 0.0 112.835 174.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -66.14 80.96 0.08 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.18 2.192 . . . . 0.0 114.096 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 pt -53.8 -24.06 9.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.767 1.227 . . . . 0.0 113.756 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -56.11 -37.03 68.84 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.391 1.476 . . . . 0.0 111.762 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -83.34 -28.43 29.01 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.177 0.991 . . . . 0.0 112.201 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -59.96 -30.87 69.38 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.294 0.952 . . . . 0.0 112.136 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.8 mt -53.67 -31.16 46.61 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.609 1.163 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.06 -52.26 64.63 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.196 0.998 . . . . 0.0 112.116 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -61.87 -35.21 77.63 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.442 0.697 . . . . 0.0 111.866 176.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.59 -44.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 122.048 -0.407 . . . . 0.0 111.0 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.52 -48.41 77.67 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.337 -0.852 . . . . 0.0 110.888 175.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -60.45 -29.49 69.06 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.215 1.406 . . . . 0.0 112.913 178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.7 t80 -51.77 -39.31 58.37 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.562 1.073 . . . . 0.0 111.704 174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mp -71.73 -30.8 39.37 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.918 0 CA-C-N 119.42 1.009 . . . . 0.0 112.099 175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.4 mtt -73.32 -46.61 48.5 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.567 -1.333 . . . . 0.0 112.204 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -64.05 -41.16 91.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 124.319 1.048 . . . . 0.0 112.383 178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.7 m -71.82 -35.34 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 45.76 -94.39 0.01 OUTLIER Glycine 0 CA--C 1.533 1.215 0 C-N-CA 126.541 2.019 . . . . 0.0 113.176 -166.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.13 -26.73 73.87 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.486 1.041 . . . . 0.0 115.044 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.1 0.35 25.1 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.342 1.571 . . . . 0.0 113.482 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 p -50.55 -36.33 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.848 1.659 . . . . 0.0 113.789 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.42 -21.87 61.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.02 1.328 . . . . 0.0 114.398 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 85.1 mttt . . . . . 0 C--O 1.252 1.218 0 C-N-CA 127.34 2.256 . . . . 0.0 112.84 -161.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -53.92 -28.02 34.29 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 119.609 -1.932 . . . . 0.0 115.695 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -69.09 -20.59 64.08 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 72.5 m-80 -97.89 9.97 41.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.365 1.466 . . . . 0.0 112.762 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -64.52 -21.18 66.61 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 120.407 -1.433 . . . . 0.0 114.065 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.03 -14.67 60.21 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.516 1.126 . . . . 0.0 113.556 175.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.27 105.22 1.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.783 -1.198 . . . . 0.0 110.594 175.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 pt -57.16 -17.65 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.591 1.156 . . . . 0.0 113.277 -178.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.7 p -59.34 -38.41 80.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.272 1.429 . . . . 0.0 111.682 174.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -73.71 -32.54 63.95 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.669 0.788 . . . . 0.0 111.443 174.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -61.72 -30.55 70.84 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.706 0.803 . . . . 0.0 113.075 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -54.95 -28.45 51.35 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.196 0.998 . . . . 0.0 112.393 175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -63.76 -52.67 59.35 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.861 0.865 . . . . 0.0 112.191 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -61.74 -37.07 82.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.435 0.694 . . . . 0.0 112.065 176.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.3 mm -68.28 -45.86 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 122.508 0.323 . . . . 0.0 110.779 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.25 -43.6 94.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.14 0.976 . . . . 0.0 111.608 174.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tt -63.53 -30.02 71.2 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.831 1.253 . . . . 0.0 113.209 175.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -52.48 -38.77 60.15 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 120.164 1.347 . . . . 0.0 111.67 174.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.92 -32.64 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 119.342 0.974 . . . . 0.0 111.862 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 51.7 mmm -71.29 -46.14 61.49 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.705 -1.247 . . . . 0.0 112.233 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.1 tt -65.02 -41.96 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.363 1.065 . . . . 0.0 112.502 177.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.5 m -71.02 -34.89 56.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.21 -93.82 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.3 1.905 . . . . 0.0 113.103 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.04 -25.63 73.1 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.594 1.092 . . . . 0.0 115.102 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mt -78.1 0.07 26.15 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.49 1.645 . . . . 0.0 113.456 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.4 p -50.6 -28.6 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 126.694 1.998 . . . . 0.0 114.411 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -63.3 -25.32 68.26 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.869 1.267 . . . . 0.0 113.906 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 mttm . . . . . 0 C--O 1.253 1.255 0 C-N-CA 124.542 1.137 . . . . 0.0 112.355 170.092 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 mttt . . . . . 0 N--CA 1.497 1.892 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.11 -29.48 67.41 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 119.522 -1.986 . . . . 0.0 114.556 -176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.17 -38.53 71.04 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.611 1.165 . . . . 0.0 112.747 175.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -100.06 -6.66 26.04 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.064 1.745 . . . . 0.0 113.369 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -64.22 -36.32 83.68 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.812 -1.18 . . . . 0.0 113.079 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.37 13.88 10.78 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.317 1.447 . . . . 0.0 114.049 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -59.06 97.97 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.625 1.17 . . . . 0.0 112.441 177.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.6 pt -56.97 -19.32 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 125.85 1.66 . . . . 0.0 113.591 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.9 p -60.64 -34.61 74.54 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.227 1.411 . . . . 0.0 111.579 174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -81.28 -31.16 33.77 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.27 1.028 . . . . 0.0 111.55 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -58.74 -30.95 67.87 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 118.702 0.683 . . . . 0.0 112.412 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -54.89 -30.98 59.43 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.365 1.066 . . . . 0.0 112.519 175.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -61.82 -52.25 64.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.896 0.879 . . . . 0.0 112.15 179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.79 -34.33 75.7 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.297 0.639 . . . . 0.0 111.963 176.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.12 -48.02 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.039 0.536 . . . . 0.0 110.507 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 mptt -62.54 -44.23 96.87 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.196 0.907 . . . . 0.0 110.885 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -62.0 -31.19 71.54 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.477 1.111 . . . . 0.0 113.074 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -52.52 -39.59 61.53 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.759 1.163 . . . . 0.0 111.843 174.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.67 -32.1 44.24 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 CA-C-N 119.477 1.035 . . . . 0.0 112.009 174.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.5 mmm -70.64 -47.58 59.29 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.621 -1.299 . . . . 0.0 112.434 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.9 tt -64.97 -40.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.304 1.041 . . . . 0.0 112.476 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.38 -35.25 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 123.951 0.9 . . . . 0.0 113.381 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 47.49 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.165 0 C-N-CA 126.57 2.033 . . . . 0.0 113.169 -167.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.76 -26.73 72.21 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 124.405 1.002 . . . . 0.0 114.826 177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mt -78.46 0.17 26.96 Favored 'General case' 0 N--CA 1.478 0.973 0 CA-C-N 119.272 1.536 . . . . 0.0 113.376 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 p -49.69 -36.48 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 C-N-CA 125.927 1.691 . . . . 0.0 113.426 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -72.49 -12.63 61.17 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.935 1.694 . . . . 0.0 114.387 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 mttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 128.55 2.74 . . . . 0.0 113.523 -169.273 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.985 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -50.21 -39.17 43.54 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 126.729 2.012 . . . . 0.0 113.939 -175.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.2 tttm -52.13 -40.55 61.5 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.48 1.912 . . . . 0.0 113.238 175.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -96.86 5.77 49.92 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.801 1.64 . . . . 0.0 112.98 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -78.37 -21.41 49.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.492 1.117 . . . . 0.0 113.73 178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.06 21.2 11.08 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.611 1.964 . . . . 0.0 112.938 175.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 -59.49 93.82 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.855 2.062 . . . . 0.0 113.626 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.2 pt -55.59 -21.58 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.454 1.102 . . . . 0.0 113.875 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.6 p -59.51 -34.09 72.17 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.107 1.763 . . . . 0.0 111.307 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -82.8 -33.46 27.27 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.483 1.113 . . . . 0.0 111.395 175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -56.47 -30.58 63.08 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.776 0.831 . . . . 0.0 112.988 175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.5 mt -54.41 -30.48 52.46 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.379 1.072 . . . . 0.0 112.303 175.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -62.81 -51.83 65.55 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.217 1.007 . . . . 0.0 112.374 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -62.38 -34.31 76.46 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.254 0.622 . . . . 0.0 111.894 176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.9 mm -68.83 -48.17 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 122.859 0.463 . . . . 0.0 110.487 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -44.41 96.88 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.366 -0.834 . . . . 0.0 111.264 174.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.09 -30.69 71.18 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.359 1.064 . . . . 0.0 112.987 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 22' ' ' VAL . 15.0 t80 -53.62 -37.45 63.08 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.994 1.27 . . . . 0.0 111.427 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -73.67 -31.76 33.09 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 CA-C-N 119.523 1.056 . . . . 0.0 111.689 175.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 66.6 mmm -70.75 -48.36 54.81 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 120.594 -1.316 . . . . 0.0 112.233 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 19.2 tt -63.47 -41.56 93.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.571 1.149 . . . . 0.0 112.326 179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 18' ' ' PHE . 35.2 m -71.39 -35.9 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.05 -93.47 0.01 OUTLIER Glycine 0 CA--C 1.533 1.204 0 C-N-CA 126.46 1.981 . . . . 0.0 113.123 -167.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.17 -25.83 73.67 Favored Glycine 0 CA--C 1.537 1.429 0 C-N-CA 124.477 1.037 . . . . 0.0 114.827 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.51 5.93 11.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 119.24 1.52 . . . . 0.0 113.12 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -54.31 -35.59 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.939 1.296 . . . . 0.0 113.79 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 41.5 mttm -61.89 -43.94 97.81 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.996 1.318 . . . . 0.0 113.51 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.749 1.619 . . . . 0.0 113.168 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.6 mttm . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 120.835 0.35 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -54.26 -28.92 44.8 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.71 2.004 . . . . 0.0 114.029 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.0 -40.02 63.51 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.501 1.52 . . . . 0.0 112.285 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.83 -35.11 74.51 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.663 1.185 . . . . 0.0 112.229 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.31 -36.31 71.57 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.905 -1.122 . . . . 0.0 111.846 174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.57 9.22 14.2 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.099 1.76 . . . . 0.0 114.434 178.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -58.73 100.89 0.07 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.314 1.046 . . . . 0.0 112.525 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 36.1 pt -56.42 -20.94 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.422 1.489 . . . . 0.0 113.084 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -58.67 -35.23 72.25 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.046 1.738 . . . . 0.0 111.653 174.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -83.63 -30.13 27.14 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.256 0.622 . . . . 0.0 112.074 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -57.76 -30.56 65.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 118.932 0.787 . . . . 0.0 112.609 175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -54.25 -31.26 53.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.556 1.142 . . . . 0.0 112.489 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -61.72 -52.08 65.73 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.143 0.977 . . . . 0.0 112.087 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.3 m-85 -61.94 -34.6 76.4 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 123.346 0.658 . . . . 0.0 112.029 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mm -69.2 -48.08 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.038 0.535 . . . . 0.0 110.557 177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -62.82 -42.88 99.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.319 -0.863 . . . . 0.0 111.639 174.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.5 tt -63.36 -30.99 72.03 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.465 1.106 . . . . 0.0 113.144 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -52.29 -39.72 60.87 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 120.213 1.369 . . . . 0.0 111.756 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.1 mp -71.12 -31.74 45.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 CA-C-N 119.292 0.951 . . . . 0.0 112.204 175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.3 mmm -70.97 -48.35 53.84 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.631 -1.293 . . . . 0.0 112.189 179.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.0 tt -64.18 -40.6 89.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.27 1.028 . . . . 0.0 112.575 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.9 m -71.37 -35.62 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 48.4 -93.57 0.01 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.436 1.97 . . . . 0.0 112.996 -168.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.89 -25.51 73.63 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.488 1.042 . . . . 0.0 114.88 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.6 mt -78.82 2.18 20.78 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.374 1.587 . . . . 0.0 113.235 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 p -51.07 -32.34 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.948 1.699 . . . . 0.0 114.255 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -65.08 -17.67 64.65 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.897 1.679 . . . . 0.0 113.941 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm . . . . . 0 C--O 1.253 1.253 0 C-N-CA 127.575 2.35 . . . . 0.0 111.062 -178.036 . . . . . . . . 0 0 . 1 stop_ save_